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New
Series

Numerical Data
and Functional Relationships
in Science and Technology

GROUP III VOLUME 44

Condensed
Matter Semiconductors
SUBVOLUME H

New Data and Updates


for IIa-VI Compounds with Mg and Sr
(Structural Properties, Thermal and Thermo-
dynamic Properties, and Lattice Properties)

MATERIALS.SPRINGER.COM 123
Landolt-Bo€rnstein: Numerical Data and Functional
Relationships in Science and Technology - New Series

Group III: Condensed Matter

Volume 44H
Landolt-Börnstein
Numerical Data and Functional Relationships
in Science and Technology

New Series

Units and Fundamental Constants in Physics and Chemistry

Elementary Particles, Nuclei and Atoms (Group I)


(Formerly: Nuclear and Particle Physics)

Molecules and Radicals (Group II)


(Formerly: Atomic and Molecular Physics)

Condensed Matter (Group III)


(Formerly: Solid State Physics)

Physical Chemistry (Group IV)


(Formerly: Macroscopic Properties of Matter)

Geophysics (Group V)

Astronomy and Astrophysics (Group VI)

Biophysics (Group VII)

Advanced Materials and Technologies (Group VIII)

Some of the group names have been changed to provide a better description of their contents.
Ulrich R€ossler
Editor

Semiconductors
Subvolume H

New Data and Updates for IIa-VI Compounds with


Mg and Sr (Structural Properties, Thermal and
Thermodynamic Properties, and Lattice Properties)

Dieter Strauch
Author
Editor
Ulrich R€ossler
Institute for Theoretical Physics
University of Regensburg
Regensburg, Germany

Author
Dieter Strauch
Institute for Theoretical Physics
University of Regensburg
Regensburg, Germany

ISSN 1615-1925 ISSN 1616-9549 (electronic)


ISBN 978-3-662-53618-6 ISBN 978-3-662-53620-9 (eBook)
DOI 10.1007/978-3-662-53620-9

Library of Congress Control Number: 2017930684

© Springer-Verlag GmbH Germany 2017


This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned,
specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any
other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or
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The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the
absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for
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The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and
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Printed on acid-free paper

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The registered company is Springer-Verlag GmbH Germany
The registered company address is: Heidelberger Platz 3, 14197 Berlin, Germany
Preface of the Editor

The last update of the Landolt-B€ornstein New Series on semiconductor physics and technology, consisting
of the five subvolumes III/41A to III/41E, was published in the years between 1998 and 2002. Instead of a
revised edition of the original volumes III/17A to III/17I (published between 1982 and 1985) and their
supplements III/22A and III/22B (published between 1987 and 1989) or a new supplement, this last update
followed a new concept of providing a CD-ROM of each subvolume with all updates and a revised version
of the corresponding old data besides the printed version of the new data. Thus, all collected data were
made available to the user in a very compact and consistent form.
In the more than 7 years since this last update, semiconductor research has brought forth new data of
standard semiconductors, and, even more, data on a variety of new materials, which became of techno-
logical interest, have been published. In the meantime, the publisher had decided to develop the Landolt-
B€ornstein data collection into an electronic major reference work. Therefore, Springer decided in 2005 to
start a new update project with the intention to complete the online database in shorter intervals. The first
input, containing data on semiconductors with tetrahedral coordination of the I–VII, II–VI, and III–V
compounds as well as of III–VI and IV–VI semiconductors, went online in 2008. These data are meanwhile
available on materials.springer.com, a broad platform on materials information that fully incorporates
Landolt-B€ ornstein. Modern navigation and search functionalities offer different ways of access to the
content. A user guide helps the reader in finding the relevant information to his needs. The first subvolume
III/44A starts with “Systematics of Semiconductor Properties,” which should help the nonspecialist user to
understand the meaning of the material parameters. All the volumes are also available in printed form.
Subvolume III/44A: New Data and Updates for I–VII, III–V, III–VI and IV–VI Compounds
Subvolume III/44B: New Data and Updates for II–VI Compounds
Subvolume III/44C: New Data and Updates for III–V, II–VI and I–VII Compounds
Subvolume III/44D: New Data and Updates for IV–IV, III–V, II–VI, I–VII Compounds, their mixed
crystals and diluted magnetic semiconductors
Subvolume III/44E: New Data and Updates for several III–V (including mixed crystals) and II–VI
Compounds
Subvolume III/44F: New Data and Updates for several Semiconductors with Chalcopyrite Structure, for
several II–VI Compounds and diluted magnetic IV–VI Compounds.
The last subvolume in this series
Subvolume III/44G: New Data and Updates for several IIa–VI Compounds (Structural Properties,
Thermal and Thermodynamic Properties, and Lattice Properties)
contained the mentioned material properties not of all IIa–VI compounds but only those with Ba, Be, and
Ca. The corresponding properties of compounds with Mg and Sr are now presented in
Subvolume III/44H: New Data and Updates for IIa–VI Compounds with Mg and Sr (Structural Properties,
Thermal and Thermodynamic Properties, and Lattice Properties)
The data presented in this subvolume had been collected already together with those of subvolume 44H
in 2014, but (due to decisions of the publisher) come to publication only now.
Also this subvolume could be accomplished only with the diligence and patience of the authors, whose
efforts and expertise have to be acknowledged in the first place. Every single page and document had to
pass the control of Martin Müller of the Landolt-B€ornstein editorial office. His efforts in managing and
accompanying the publication process have been essential for the progress in this update project.

Regensburg The Editor


August 2016

v
Contents

Systematics of Semiconductor Properties . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . see LB III/44A


Index of Substances . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . see LB III/44A
List of Symbols . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . see LB III/44A
Conversion Factors . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . see LB III/44A
MgO: Radial Distribution Function, Coordination Number . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
MgO: Phase Transition Temperature, Phase Diagram, Transition Path,
Ferroelectric Phase Transition, Metallization Transition . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
MgO: Equation of State . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
MgO: Melting Curve, Melting Temperature . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
MgO: Thermal Conductivity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
MgO: Thermal Expansion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
MgO: Phonon Dispersion Curves, Phonon Density of States . . . . . . . . . . . . . . . . . . . . . . . . . . 23
MgO: Infrared Phonon Spectra . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29
MgO: Phonon Frequencies, Phonon Line Widths, Mode-Gr€ uneisen Parameters, Surface
Phonon Frequencies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31
MgO: Elastic Constants, Sound Velocities, Ultrasound Attenuation, Internal Strain
Parameter . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35
MgO: Bulk and Shear Moduli . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45
MgO: Dielectric Constant, Born Effective Charge . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57
MgS: Thermal Expansion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61
MgS: Phonon Dispersion Relations, Phonon Density of States . . . . . . . . . . . . . . . . . . . . . . . . . 63
Mgs: Elastic Constants . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67
MgSe: Lattice Parameters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71
MgSe: Phonon Dispersion Relations, Phonon Density of States . . . . . . . . . . . . . . . . . . . . . . . . 75
MgSe: Elastic Constants . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79
MgTe: Phase Transition Pressure, Phase Stability, Equation of State . . . . . . . . . . . . . . . . . . . 83
MgTe: Enthalpy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85
MgTe: Phonon Dispersion Relations, Density of Phonon States . . . . . . . . . . . . . . . . . . . . . . . . 87
MgTe: Phonon Frequencies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93
SrO: Phase Transition Pressure, Phase Stability, Phase Diagram . . . . . . . . . . . . . . . . . . . . . . 95
SrO: Thermal Expansion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97

vii
viii Contents

SrO: Phonon Dispersion Relations, Phonon Density of States . . . . . . . . . . . . . . . . . . . . . . . . . 99


uneisen Parameters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103
SrO: Phonon Frequencies, Mode-Gr€
SrO: Dielectric Constant, Born Effective Charge . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107
SrS: Phase Transition Pressure, Phase Transition Temperature . . . . . . . . . . . . . . . . . . . . . . . 111
SrS: Thermal Expansion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113
SrS: Phonon Dispersion Relations, Phonon Density of States . . . . . . . . . . . . . . . . . . . . . . . . . . 115
SrS: Phonon Frequencies . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117
SrS: Bulk Modulus . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119
SrS: Dielectric Constant . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123
SrSe: Phase Transition Pressure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125
SrSe: Thermal Expansion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127
SrSe: Phonon Dispersion Relations, Phonon Density of States . . . . . . . . . . . . . . . . . . . . . . . . . 129
SrSe: Bulk Modulus . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131
SrSe: Dielectric Constant . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135
SrTe: Phase Transition Pressure, Phase Stability . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137
SrTe: Thermal Expansion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139
SrTe: Phonon Dispersion Relations, Phonon Density of States . . . . . . . . . . . . . . . . . . . . . . . . . 141
SrTe: Elastic Constants . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143
SrTe: Bulk Modulus . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147
SrTe: Dielectric Constant . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 151
MgO: Radial Distribution Function, Coordination Number

Substance: Magnesium oxide (MgO)


Property: Radial distribution function, coordination (structural properties)

Radial Distribution Function


For the radial distribution functions of liquid (and solid) MgO at three different points on the melting
curve from molecular-dynamics simulations using force constants from DFT-LDA calculations see Fig. 1
[06K].

a b

Fig. 1 MgO. Radial distribution functions of liquid (and solid) MgO for three different points along the melting curve from
molecular-dynamics simulations using force constants from DFT-LDA calculations [06K]

Fig. 2 MgO. Coordination


number of liquid (and solid)
MgO as a function of
compression from
molecular-dynamics
simulations using force
constants from DFT-LDA
calculations [06K]

© Springer-Verlag GmbH Germany 2017 1


U. R€ossler, Semiconductors,
DOI 10.1007/978-3-662-53620-9_1
2 MgO: Radial Distribution Function, Coordination Number

Coordination Number
For the coordination number of liquid MgO as a function of compression from molecular-dynamics
simulations using force constants from DFT-LDA calculations see Fig. 2 [06K].

References
[06K] Karki, B.B., Bhattarai, D., Stixrude, L.: Phys. Rev. 73 (2006) 174208.
MgO: Phase Transition Temperature, Phase Diagram,
Transition Path, Ferroelectric Phase Transition,
Metallization Transition

Substance: Magnesium oxide (MgO)


Property: Phase transition pressure, phase diagram, transition path, ferroelectric phase transition, metallization transi-
tion (structural properties)

Stability Conditions
From DFT-LDA calculations the energy per formula unit is 13.020 eV for the hexagonal structure,
12.969 eV for the zincblende structure, 13.324 eV for the rocksalt structure [08D]. From DFT
calculations a number of four- and five-coordinated structures with low energy have been found [11Z].
Pressure Scale
For a comparison of MgO, Pt, Mo, NaCl, and Ne pressure scales see [12D] and references therein.
Transition Path
For the p – V – T transition path from EDXRD experiments see Fig. 1 [01K].
Phase Diagram
For the p – T phase diagram for the B1 to B2 phase transition from PP-LDA calculations in the
quasiharmonic approximation see Fig. 2 [03O2]. Results similar to those of [03O2] with a somewhat
steeper slope have been obtained from DFT-GGA calculations by [02D]; similar data from DFT-LDA
molecular-dynamics simulations are obtained in [10B1] (Fig. 3) [12M].
Phase Transition Pressure (low-pressure rocksalt (B1) to high-pressure CsCl (B2) phase)
( ptr in GPa, V in Å3, T in K)

Physical property Numerical values Remarks Ref.


ptr 711.6 AE-LCAO-SCF-HF calculation [98H]
V(B1) 9.0
V(B2) 8.7
ΔV/V 0.036
ptr 511.8 AE-DFT-LDA calculation
V(B1) 9.3
V(B2) 8.9
ΔV/V 0.049
ptr 478.1 AE-DFT-BLYP calculation
V(B1) 9.8
V(B2) 9.3
ΔV/V 0.054
ptr 428.4 AE-DFT-PBE calculation
V(B1) 10.0
V(B2) 9.4
ΔV/V 0.055
ptr 417.8 AE-DFT-PW calculation
V(B1) 10.1
(continued)
© Springer-Verlag GmbH Germany 2017 3
U. R€ossler, Semiconductors,
DOI 10.1007/978-3-662-53620-9_2
4 MgO: Phase Transition Temperature, Phase Diagram, Transition Path. . .

Physical property Numerical values Remarks Ref.


V(B2) 9.5
ΔV/V 0.062
ptr 515 AE-LCAO-LDA calculation [00J]
V(B1) 9.053
V(B2) 8.764
ptr 515 AE-LCAO-GGA calculation [00J]
V(B1) 9.223
V(B2) 8.907
ptr 209 DFT-GGA-MD calc., RT, aspherical-ion model [03A1]
ptr 489 – 509 DFT-GGA calculation, different electronic states [03O1]
ptr 490 DFT-LDA calculation [03O2]
ptr 491 DFT-LDA calculation (3s2 electrons) [05A1]
ptr 505 DFT-LDA calculation (3s2 and 2p6 electrons) [05A1]
ptr 508 DFT-GGA calculation [05A1]
ptr 597(20) Quantum Monte-Carlo calculation [05A2]
ptr 508 DFT-GGA calculation [06S]
ptr 397 PP-PW-GGA calculation [07L]
ptr 611 FP-LAPW-GGA calculation [07L]
ptr 611 FP-LAPW-GGA calculation [09G]
ptr 495.0 PP-PW-GGA calculation [11S]
ptr 410 LCAO-GGA calculation [12J]
ptr 440(80) Shock compression experiment (T ¼ 9000(700) K) [12M]
dptr/dT 0.39(30)
ΔV/V 0.038(0.031)

Hybridizing with Hartree-Fock exchange reduces the results from various GGA calculations [05A3]. An
empirical volume correction brings the LDA and GGA results closer together [11O].
For the transition pressure of Ca1xMgxO from PP-PW-GGA calculations see [11S].
Phase Transition Pressure (low-pressure rocksalt (B1) to h-MgO structure)
( ptr in GPa)

Physical property Numerical values Remarks Ref.


ptr 16.2 FP-LMTO calculation [01L]

Fig. 1 MgO. Transition


path from EDXRD
experiments (data points,
broken lines); the isobar
lines (in GPa) are from the
equation of state [01K]
MgO: Phase Transition Temperature, Phase Diagram, Transition Path. . . 5

Fig. 2 MgO. Phase


diagram for the B1-to-B2
phase transition from
PP-LDA calculations in the
quasiharmonic
approximation with various
methods: integration of
Clapeyron slopes (solid
line); direct calculation
( full circles); static
calculations (open square)
[03O2]; dashed line from
[02D]; DFT-GGA
calculations (grey line
[99S]); experiment (crossed
line [94Z]) [03O2]

Fig. 3 MgO. Proposed


phase diagram for the
B1-to-B2 and B2-to-liquid
phase transitions (heavy
black lines) from shock
temperature data (data
points with error bars and
interpolating line [12M]),
open triangles are from
experimental melting
temperatures [94Z, 08Z];
open black circles with dot-
dashed black line with
B1-phase temperature
model [87S]. [12M]

Phase Transition Pressure (wurtzite (B4) to NiAs (B81) structure)


( ptr in GPa)

Physical property Numerical values Remarks Ref.


ptr 2 FP-LMTO calculation [12J]

Phase Transition Pressure (h-MgO to NiAs (B81) structure)


( ptr in GPa)

Physical property Numerical values Remarks Ref.


ptr 9 FP-LMTO calculation [12J]

Phase Transition Pressure (NiAs (B81) to CsCl (B2) structure)


( ptr in GPa)

Physical property Numerical values Remarks Ref.


ptr 340 FP-LMTO calculation [12J]
6 MgO: Phase Transition Temperature, Phase Diagram, Transition Path. . .

Phase Transition Pressure (zincblende (B3) to CsCl (B2) structure)


( ptr in GPa)

Physical property Numerical values Remarks Ref.


ptr 37 FP-LMTO calculation [12J]

Phase Transition Pressure (wurtzie (B4) to CsCl (B2) structure)


( ptr in GPa)

Physical property Numerical values Remarks Ref.


ptr 42 FP-LMTO calculation [12J]

Phase Transition Pressure (h-MgO to CsCl (B2) structure)


( ptr in GPa)

Physical property Numerical values Remarks Ref.


ptr 64 FP-LMTO calculation [12J]

The wurtzite structure is unstable against the formation of the h-MgO structure [01L, 07M]. For the
discussion of transition paths from wurtzite to h-MgO to rocksalt structure see [01L].
Phase Transition Pressure (wurtzite to rocksalt structure)
For the transition pressure of Zn1xMgxO (x < 0.2) from XRD experiments see [11H].
Ferroelectric Phase Transition
From PP-PW-LDA calculations under epitaxial biaxial strain (deformation to I4/mmm symmetry, space g
roup 139) BaO is calculated to undergo a ferroelectric phase transition at a compressive strain of 7.4%
(A1u mode softening with out-of-plane polarization) or a tensile strain of +8.5% (Eu mode softening with
in-plane polarization) [10B2].
Metallization Transition Pressure (from CsCl (B2) structure)
( ptr in TPa)

Physical property Numerical values Remarks Ref.


ptr 20.7 PP-LDA calculation (to solid) [03O2]
ptr 650(50) Shock compression experiment [12M]
(to liquid, T ¼ 14,000(1100) K)
dptr/dT 0.12(0.08)
ΔV/V 0.041(0.029) (expansion)

References
[87S] Svendsen, B., Ahrens, T.J.: Geophys. J. R. Astron. Soc. 91 (1987) 667.
[94Z] Zerr, A., Boehler, R.: Nature (London) 371 (1994) 506.
[98H] Habas, M.P. Dovesi, R., Lichanot, A.: J. Phys. Condens. Matter 10 (1998) 6897.
[99S] Strachan, A., Çagin, T., Goddard III, W.A..: Phys. Rev. B 60 (1999) 15084.
[00J] Jaffe, J.E., Snyder, J.A., Lin, Z., Hess, A.C.: Phys. Rev. B 62 (2000) 1660.
[01K] Kavner, A., Duffy, T.S.: J. Appl. Phys. 89 (2001) 1907.
[01L] Limpijumnong, S., Lambrecht, W.R.L.: Phys. Rev. B 63 (2001) 104103.
[02D] Drummond, N.D., Ackland, G.J.: Phys. Rev. B 65 (2002) 184104.
[03A1] Aguado, A., Bernasconi, L., Madden, P.A.: J. Chem. Phys. 118 (2003) 5704.
[03O1] Organov, A.R., Dorogokupets, P.I.: Phys. Rev. B 67 (2003) 224110 with extensive listing of results previous to 2003
[03O2] Oganov, A.R., Gillan, M., Price, G.: J. Chem. Phys. 118 (2003) 10174.
[05A1] Alfè, D.: Phys. Rev. Lett. 94 (2005) 235701.
MgO: Phase Transition Temperature, Phase Diagram, Transition Path. . . 7

[05A2] Alfè, D., Alfredsson, M., Brodholt, J., Gillan, M.J., Towler, M.D., Needs, R.J.: Phys. Rev. B 72 (2005) 014114.
[05A3] Alfredsson M., Brodholt, J.P., Wilson, P.B., Price, G.D., Cora, F., Calleja, M., Bruin, R., Blanshard, L.J., Tyer, R.P.:
Molec. Simul. 31 (2005) 367.
[06S] Schleife, A., Fuchs, F., Furthmüller, J., Bechstedt, F.: Phys. Rev. B 73 (2006) 245212.
[07L] Liu, Z.J., Sun, X.W., Ge, S.H., Wu, H.Y., Zhang, X.L., Yang, X.D.: Chin. J. Phys. Chem. 20 (2007) 65.
[07M] Malashevich, A., Vanderbilt, D.: Phys. Rev. 75 (2007) 045106.
[08D] Duan, Y., Qin, L., Tang, G., Shi, L.: Eur. Phys. J. B 66 (2008) 201.
[08Z] Zhang, L., Fei, Y.W.: Geophy. Res. Lett. 35 (2008) L13302.
[09G] Gueddim, A., Bouarissa, N., Villesuzanne, A.: Phys. Scripta 80 (2009) 055702.
[10B1] Belonoshko, A.B., Arapan, S., Martonak, R., Rosengren, A.: Phys. Rev. B 81 (2010) 054110.
[10B2] Bousquet, E., Spaldin, N.A., Ghosez, Ph.: Phys. Rev. Lett. 104 (2010) 037601.
[11H] Hanna, G.J., Teklemichael, S.T., McCluskey, M.D., Bergman, L., Huso, J.: J. Appl. Phys. 10 (2011) 073511.
[11O] Otero-de-la-Roza, A., Lua~ na, V.: Phys. Rev B 84 (2011) 024109.
[11S] Srivastava, A., Chauhan, M., Singh, R.K., Padegaonker, R.: Phys. Status Solidi B 248 (2011) 1901.
[11Z] Zwijnenburg, M.A., Bromley, S.T.: Phys. Rev. B 83 (2011) 024104.
[12D] Dorfman, S.M., Prakapenka, V.B., Meng, A., Duffy, T.S.: J. Geophys. Res. 117 (2012) B08210.
[12J] Joshi, K.B., Sharma, B.K., Paliwal, U., Barbiellini, B.: J. Mater. Sci. 47 (2012) 7549.
[12M] McWilliams, R.S., Spaulding, D.K., Eggert, J.H., Celliers, P.M.,Hicks, D.G., Smith, R.F., Collins, G.W., Jeanloz, R.:
Science 338 (2012) 1330.
MgO: Equation of State

Substance: Magnesium oxide (MgO)


Property: Equation of state (thermal and thermodynamic properties)

Equation of State
For the temperature-pressure-volume equation of state from angular-dispersive synchrotron diffraction
experiments up to 1273 K and 7 GPa see Fig. 1 [00M]; for pressures up to 45 GPa and temperatures up to
2500 K see also [00D]; a comparison with various results is also given in [10J]. The pressure-volume
equation of state from various experiments up to 50 GPa cannot be fitted with a constant Debye q-value, see
Fig. 2 [01S].
For the various, harmonic and anharmonic, contributions to the equation of state see Fig. 3 [03O]. For an
ab-initio calculation up to 400 GPa and 6000 K see also [04L]. For anharmonic contributions to the
Mie-Grüneisen equation of state see [05H]. For a parameter fit to experimental data up to 2000 K see [12Z].
For a theoretical model analysis of the experimental data of [00Z] between 300 and 1073 K see [06M];
for results from a DFT-based aspherical-ion model see Fig. 4 [02A]. For the equation of state of solid and
liquid MgO and for p-T isochores from molecular-dynamics simulations using force constants from
DFT-LDA calculations see [06K].

Fig. 1 MgO. Temperature-


pressure-volume equation
of state from angular-
dispersive synchrotron
diffraction experiments
(data points) with Vinet
EOS fit (lines) [00M]

© Springer-Verlag GmbH Germany 2017 9


U. R€ossler, Semiconductors,
DOI 10.1007/978-3-662-53620-9_3
10 MgO: Equation of State

Fig. 2 MgO. Pressure-volume equation of state from various static compression experiments ([98U] open up-triangles; [99F]
open squares; [00D] open diamonds; [01S] full circles); the dotted lines are Birch-Murnaghan-Debye fits to the data of [01S];
the inset shows that the shock-compression data of [87S] cannot be fitted with a constant Debye q-value [01S]

a b

Fig. 3 MgO. Equation of state. (a) Total pressure at 300 and 3000 K: Pressure-corrected theory (solid lines): (at 300 K (black
line) and 3000 K (gray line) [03O]), experiment at 300 K (dashed line). Experimental data (Black symbols [79M, 95D, 98U,
99F, 00D, 01S] at 300 K, extrapolation to 3000 K (large gray squares [01S]). (b) Total pressure at 3000 K (line 1): static
pressure (line 2), quasiharmonic (line 3), and anharmonic (line 4) thermal pressure contributions [03O]
MgO: Equation of State 11

Fig. 4 MgO. Temperature dependence (lower panel) and pressure dependence (upper panel) of the unit-cell volume from
molecular-dynamics simulations using the DFT-GGA-based aspherical-ion model (data points); the dotted lines in the upper
panel denote the experimental error bars (Δp ¼ 6 %, ΔV ¼ 3 % [79M]); experimental data in the lower panel at low T ( full line
[90A]) and at high T (dotted line [99F]) [02A]

References
[79M] Mao, H.-K., Bell, P.: J. Geophys. Res. 84 (1979) 4533.
[87S] Svendson, B., Ahrens, T.J.: Geophys. J. R. Astron. Soc. 91 (1987) 667.
[95D] Duffy, T.S., Hemley, R.J., Mao, H.-K.: Phys. Rev. Lett. 74 (1995) 1371.
[99F] Fei, Y.: Am. Mineral. 84 (1999) 272.
[00D] Dewaels, G.A., Fiquet, G., Andrault, D., Hausermann, D.: J. Geophys. Res. B 105 (2000) 2869.
[00M] Martı́nez-Garcı́a, D., Le Godec, Y., Mézouar, M., Syfosse, G., Itié, J.P., Besson, J.M.: High Press. Res. 18 (2000) 339.
[00Z] Zhang, J.: Phys. Chem. Minerals 27 (2000) 145.
[01S] Speziale, S., Zha, C.-S., Duffy, T.S., Hemley, R.J., Mao, H.-K.: J. Geophys. Res. B 106 (2001) 515.
[02A] Aguado, A., Bernasconi, L., Madden, P.A.: Chem. Phys. Lett. 356 (2002) 437.
[03O] Organov, A.R., Dorogokupets, P.I.: Phys. Rev. B 67 (2003) 224110.
[04L] Luo, S.N., Swift, D.C., Mulford, R.N., Drummond, N.D., Ackland, C.J.: J. Phys.: Condens. Matter 16 (2004) 5435.
[05H] Holzapfel, W.B.: High Press. Res. 25 (2005) 187.
[06K] Karki, B.B., Bhattarai, D., Stixrude, L.: Phys. Rev. 73 (2006) 174208.
[06M] Molodets, A.M., Shakhray, D.V., Golyshev, A.A., Babare, L.V., Avdonin, V.V.: High Press. Res. 26 (2006) 223.
[10J] Jin, K., Li, X.Z., Wu, Q., Geng, H.Y., Cai, L.C., Zhou, X.M., Jing, F.Q.: J. Appl. Phys. 107 (2010) 113518.
[12Z] Zhang, D., Sun, J.X.: Chin. Phys. B 21 (2012) 080508.
MgO: Melting Curve, Melting Temperature

Substance: Magnesium oxide (MgO)


Property: Melting curve, melting temperature (thermal and thermodynamic properties)

Melting Curve
For the melting curves from various experiments and theories see Fig. 1 [08Z]. For the melting curve from
DFT-LDA molecular-dynamics simulations see also Fig. 2 [10B]. For a rating of various melting curves see
[10B].
For the melting curve from a Birch-Murnaghan-Debye fit to powder EDXRD experiments and the
Lindemann relation see [01S]. From molecular-dynamics simulations using force constants from
DFT-LDA calculations the melting temperature increases from 3070(50) K at zero pressure to 8144(40) K
at 136 GPa [05A2].
For melting curves up to 3600 K and 7 GPa of Mg1xFexO from microprobe analysis see [08Z].
Melting Temperature (from unreported structure)
(in K)

Physical property Numerical values Remarks Ref.


Tm 3250(20) Thermal arrest 01R
Tm 3700(100) Microprobe analysis, pm ¼ 3 GPa 08Z
Tm 4200(160) Microprobe analysis, pm ¼ 5 GPa 08Z
Tm 4540(200) Microprobe analysis, pm ¼ 5 GPa 08Z

Melting Temperature (from rocksalt structure)


(in K)

Physical property Numerical values Remarks Ref.


Tm 2950(20) PP-PW-GGA simulation 05A1
Tm 2890(20) Ditto, with 10 % Schottky vacancies
Tm 2910(20) Ditto, with stacking faults
Tm 3070(50) DFT-LDA calculation, pm ¼ 0.4(2) GPa 05A2
Tm 3110(50) DFT-LDA calculation, pm ¼ 0 GPa 05A2
Tm 4590(50) DFT-LDA calculation, pm ¼ 17.0(2) GPa 05A2
Tm 6047(40) DFT-LDA calculation, pm ¼ 47.0(2) GPa 05A2
Tm 8144(40) DFT-LDA calculation, pm ¼ 135.6(2) GPa 05A2
Tm 2533(100) DFT-GGA calculation, pm ¼ 0.4(2) GPa 05A2
Tm 2575(100) DFT-GGA calculation, pm ¼ 0 GPa 05A2
Tm 4405(100) DFT-GGA calculation, pm ¼ 17.0(2) GPa 05A2
Tm 5887(90) DFT-GGA calculation, pm ¼ 47.0(2) GPa 05A2
Tm 8044(80) DFT-GGA calculation, pm ¼ 135.6(2) GPa 05A2
Tm 3758 Empirical-potential MD simulation 06L
Tm 3070(50) DFT-LDA MD simulation 10B

© Springer-Verlag GmbH Germany 2017 13


U.R€ossler, Semiconductors,
DOI 10.1007/978-3-662-53620-9_4
14 MgO: Melting Curve, Melting Temperature

Fig. 1 MgO. Melting


curves from experiment
( full squares [97D], open
circles with error bars and
dash dotted line [94Z], full
circles and dashed line
[08Z]) and from theory
( full lines [94C, 96V, 98C,
05A2]) [08Z]

Fig. 2 MgO. Melting curve


from various simulations
([96B, 99S, 05A2, 10B])

Melting Temperature (from wurtzite structure)


(in K)

Physical property Numerical values Remarks Ref.


Tm 3050(20) PP-PW-GGA simulation 05A1

Pressure Dependence of the Melting Temperature


(in K/GPa)

Physical property Numerical values Remarks Ref.


dTm/dp 221 microprobe analysis 08Z

Form DFT-based molecular-dynamic simulations the slope is ( p in GPa and T in K) [99S]


dp/dT ¼ φ1( p) + φ2( p) T with
φ1( p) ¼ 4.130 379 88  102 + 1.706 326 92  103 p  8.413 582 15  106 p2 + 4.539 383 46  108 p3
φ2(p) ¼ 29.67189544  106  6.30512754  108 p + 4.331 15247  1010p2  3.524 548 63  1012 p3
MgO: Melting Curve, Melting Temperature 15

Pressure Dependence of the Melting Temperature (from rocksalt structure)


(in K/GPa)

Physical property Numerical values Remarks Ref.


dTm/dp 102(5) DFT-LDA calculation, pm ¼ 0.4(2) GPa 05A2
dTm/dp 100 DFT-LDA calculation, pm ¼ 0 GPa 05A2
dTm/dp 62(3) DFT-LDA calculation, pm ¼ 17.0(2) GPa 05A2
dTm/dp 33(2) DFT-LDA calculation, pm ¼ 47.0(2) GPa 05A2
dTm/dp 16(1) DFT-LDA calculation, pm ¼ 135.6(2) GPa 05A2
dTm/dp 221 XRD 08Z

For the pressure dependence of the melting temperature from empirical-potential molecular-dynamic
simulations see [06L].
Pressure Dependence of the Volume at Melting Temperature (from rocksalt structure)
(in Å3/atom)

Physical property Numerical values Remarks Ref.


Vm 3.08(5) DFT-LDA calculation, pm ¼ 0.4(2) GPa 05A2
Vm 1.44(5) DFT-LDA calculation, pm ¼ 17.0(2) GPa 05A2
Vm 0.73(3) DFT-LDA calculation, pm ¼ 47.0(2) GPa 05A2
Vm 0.334(2) DFT-LDA calculation, pm ¼ 135.6(2) GPa 05A2

Pressure Dependence of the Entropy at Melting Temperature (from rocksalt structure)


(in kB/atom)

Physical property Numerical values Remarks Ref.


Sm 2.19(10) DFT-LDA calculation, pm ¼ 0.4(2) GPa 05A2
Sm 1.69(4) DFT-LDA calculation, pm ¼ 17.0(2) GPa 05A2
Sm 1.59(3) DFT-LDA calculation, pm ¼ 47.0(2) GPa 05A2
Sm 1.51(2) DFT-LDA calculation, pm ¼ 135.6(2) GPa 05A2

Pressure Dependence of the Shear Viscosity at Melting Temperature (from rocksalt structure)
(in mPa s)

Physical property Numerical values Remarks Ref.


η 3.0(4) DFT-LDA calculation, pm ¼ 0.4(2) GPa [05A2]
η 3.8(3) DFT-LDA calculation, pm ¼ 17.0(2) GPa [05A2]
η 4.5(4) DFT-LDA calculation, pm ¼ 47.0(2) GPa [05A2]
η 5.0(4) DFT-LDA calculation, pm ¼ 135.6(2) GPa [05A2]

References
[94C] Cohen, R.E., Gong, Z.: Phys. Rev. B 50 (1994) 12301.
[94Z] Zerr, A., Boehler, R.: Nature (London) 371 (1994) 506.
[96B] Belonoshko, A.B., Dubrovinsky, L.S.: Am. Mineral. 81 (1996) 303.
[96V] Vočadlo, L., Price, G.D.: Phys. Chem. Miner. 23 (1996) 42.
[97D] Dubrovinsky, L.S., Saxena, S.K.: Phys. Chem. Miner. 68 (1997) 798.
[98C] Cohen, R.E., Weitz, J.S. in: Properties of Earth and Planetary Materials at High Pressure and Temperature,
ed. Manghnani, M.H., Yage, T., AGU Washington, D.C. (1998) p.185; cited in [08Z].
[99S] Strachen, A., Ça
gin, T., Goddard III, W.A.: Phys. Rev. B 60 (1999) 15084; comment by Belonoshko, A.C.: Phys. Rev. B
63 (2001) 096101; reply in Strachan, A. Ça gin, T., Goddard III, W.A.: Phys. Rev. B 63 (2001) 096102.
[01R] Ronchi, C., Sheindlin, M.: J. Appl. Phys. 90 (2001) 3325.
[01S] Speziale, S., Zha, C.-S., Duffy, T.S., Hemley, R.J., Mao, H.-K.: J. Geophys. Res. B 106 (2001) 515.
16 MgO: Melting Curve, Melting Temperature

[05A1] Aguado, A., Madden, P.A.: Phys. Rev. Lett. 94 (2005) 068501.
[05A2] Alfè, D.: Phys. Rev. Lett. 94 (2005) 235701.
[05T] Tangney, P., Scandolo, S.: unpublished, cited in [05A2].
[06L] Li, S.Y., Liu, Z.L., Nan, Y.G., Zhang, Z.R.: Chin. J. Chem. Phys. 19 (2006) 315.
[08Z] Zhang, L., Fei, Y.: Geophys. Res. Lett. 35 (2008) L13302.
[10B] Belonoshko, A.B., Arapan, S., Martonak, R., Rosengren, A.: Phys. Rev. B 81 (2010) 054110.
MgO: Thermal Conductivity

Substance: Magnesium oxide (MgO)


Property: Thermal conductivity (thermal and thermodynamic properties)

Thermal Conductivity (rocksalt phase)


For the pressure dependence of the thermal diffusivity from time-resolved radiometry near 200 K see [07B]
and from infrared pulse techniques see [09G]. For molecular-dynamics simulations using nonempirical
interatomic potentials (variational-induced breathing model) see [98I]. For the thermal conductivity
calculated from phonon lifetimes derived from DFT-LDA supercell molecular-dynamics simulations
between 490 and 2800 K see [09D]. For the thermal conductivity from harmonic and anharmonic
parameters from ab-initio calculations see [10T]. The theoretical thermal conductivity from lattice-
dynamical methods is even larger than that from molecular-dynamics methods [11C]. For the pressure
and temperature dependence of the thermal conductivity from PP-PW-LDA calculations see Figs. 1 [10T]
and 2 [09T].

Fig. 1 MgO. Thermal


conductivity at ambient
pressure from harmonic and
anharmonic parameters
from ab-initio calculations
( full line); main figure:
experiment (broken line
[08W], circles [57C],
squares [62S], diamonds
[70T], crosses [07H]); the
inset shows the pressure
dependence (red line [86A],
gray line [82M], dash-dot
line [78Y], squares, and full
line [97K]) [10T]

© Springer-Verlag GmbH Germany 2017 17


U. R€ossler, Semiconductors,
DOI 10.1007/978-3-662-53620-9_5
18 MgO: Thermal Conductivity

Fig. 2 MgO. Pressure and temperature dependence of the thermal conductivity divided by the relaxation time, i.e., the
squared group velocities weighted by the heat capacities, (1/3)Σic ivi2, from PP-PW-LDA calculations [09T]

References
[57C] Charvat, F.R, Kingery, W.D.: J. Am. Ceram. Soc. 40 (1957) 306.
[62S] Slack, G.A. Phys. Rev. 126 (1962) 427.
[70T] Touloukian, Y.S., Powell, R.W., Ho, C.Y., Klemens, P.G.: Thermophysical Properties of Matter, Vol. 2: Thermal
Conductivity–Nonmetallic Solids (IFI/Plenum, New York, 1970), p. 166.
[78Y] Yukutake, H., da Shima, M.: Phys. Earth Planet. Inter. 17 (1978) 193.
[82M] Macpherson, W.R., Schloessin, H.H.: Phys. Earth Planet. Inter. 29 (1982) 58.
[86A] Andersson, S., Backstrom, G.: Rev Sci Instrum 57 (1986) 1633.
[97K] Katsura, T.: Phys. Earth Planet, Inter. 101 (1997) 73.
[98I] Ita, J., Cohen, R.E.: Geophys. Res. Lett. 25 (1998) 1095.
[07B] Beck, P., Goncharov, A.F., Struzhkin, V.V., Militzer, B., Mao, H.K., Hemley, R.J.: Appl. Phys. Lett. 91 (2007) 181914.
[07H] Hofmeister, A.M., Pertermann, M., Branlund, J.M.: Mineral Physics, ed. Price, G.D. (Elsevier, Netherlands, 2007) 543.

[08W] Wu, Z.Q., Wentzcovitch, R.M., Umemoto, K., Li, B.S., Hirose, K., Zheng, J.C.: J. Geophys. Res. Solid Earth 113
(2008) B06204.
[09D] de Koker, N.: Phys. Rev. Lett. 103 (2009) 125902; de Koker, N., Stixrude, L.: Geophys. J. Int. 178 (2009) 162.
[09G] Goncharov, A.F., Beck, P., Struzhkin, V.V., Haugen, B.D., Jacobsen, S.D.: Phys. Earth Planet. Inter. 174 (2009) 24.
[09T] Tang, X.L., Dong, J.J.: Phys. Earth Planet. Inter. 174 (2009) 33.
[10T] Tang, X.L., Dong, J.J.: Proc. Natl. Acad. Sci. USA 107 (2010) 4539.
[11C] Chernatynskiy, A., Turney, J.E., McGaughey, A.J.H., Amon, C.H., Phillpot, S.R.: J. Am. Ceramic Soc. 94 (2011) 3523.
MgO: Thermal Expansion

Substance: Magnesium oxide (MgO)


Property: Thermal expansion (lattice properties)

Thermal Expansion Coefficient (rocksalt phase)


(in 105 K1)

Physical property Numerical values Remarks Ref.


α 3.0 EDXRD pressure exp., up to 56 GPa and 2500 K [00D]
α 3.10 DFT-LDA calculation at T ¼ 0 K [00K]
α 3.11 DFT-LDA calculation at T ¼ 300 K [00K]
α 4.0(2) EDXRD (B0 ¼ 160 GPa, B00 ¼ 4.2, a ¼ 4.2112(8)) [00M]
α 4.09(5) EDXRD pressure exp., 300—1073 K average [00Z]
α 3.57 PAW-LDA calculation at T ¼ 300 K [05S]

Pressure Dependence of the Thermal Expansion Coefficient (rocksalt phase)


(in 106 K1 GPa1)

Physical property Numerical values Remarks Ref.


dα/dp 1.04(8) EDXRD pressure exp., 300–1073 K average [00Z]

For the pressure dependence of the thermal expansion coefficient from PP-DFT calculations in the
quasiharmonic approximation see Fig. 1 [04L]; for the pressure dependence of the thermal expansion
coefficient derived from various fits to powder EDXRD and shock compression data as well as theoretical
predictions see Fig. 2 [01S].
Temperature Dependence of the Thermal Expansion
From EDXRD experiments, the temperature dependence of the thermal expansion is α ¼ d ln V /dT ¼ 3.094
(75)  105 + 1.248(38)  108 T  1.34(17) /T 2; for a listing of lattice parameters at temperatures up to
2973 K see [99F]. For the temperature dependence of the thermal expansion coefficient from DFT
calculations within the quasiharmonic vs. mean-field potential approximations see Fig. 3 [06W].
Pressure and Temperature Dependence of the Thermal Expansion Coefficient (rocksalt phase)
(α in 105 K1, T in K)

Physical property Numerical values Remarks Ref.


α 2.6(5) + 1.2(5)  103 T ADXRD pressure experiment at 0 GPa [00D]
α 2.79(33) + 1.50(48)  103 T EDXRD pressure experiment at 2.6 GPa [00Z]
α 2.91(26) + 0.95(38)  103 T EDXRD pressure experiment at 5.4 GPa
α 2.60(34) + 0.93(48)  103 T EDXRD pressure experiment at 8.2 GPa

For the temperature and pressure dependence up to 2750 K and 95 GPa of the volume from molecular-
dynamics simulations using the DFT-GGA-based aspherical-ion model see [02A]. For the dependence of
the thermal expansion coefficient upon temperature and pressure from DFT-LDA calculations in the
quasiharmonic approximation see [00K, 03O, 05L], and [07L]. For results from first-principles molecu-
lar-dynamics simulation within (c ¼ 0) and beyond (c 6¼ 0) the quasi-harmonic approximation see Fig. 4

© Springer-Verlag GmbH Germany 2017 19


U. R€ossler, Semiconductors,
DOI 10.1007/978-3-662-53620-9_6
20 MgO: Thermal Expansion

Fig. 1 MgO. Pressure


dependence of the thermal
expansion coefficient from
PP-DFT calculations in the
quasiharmonic
approximation (lines) and
from thermodynamical
calculations (data points
[95A]) [04L]

Fig. 2 MgO. Pressure


dependence of the thermal
expansion coefficient
derived from various fits
(Birch-Murnaghan, Vinet,
logarithmic) to powder
EDXRD data; also shown
are fits of the shock
compression data
(Holzapfel) and theoretical
predictions (dashed line
[95I], full line [00K]) [01S]

Fig. 3 MgO. Temperature


dependence of the thermal
expansion coefficient from
DFT calculations within the
quasiharmonic
approximation (dotted line)
and within a mean-field
potential approximation
( full line); experimental
data by [90A] (circles)
[06W]
MgO: Thermal Expansion 21

Fig. 4 MgO. Thermal


expansion coefficient from
experiment (data points
[77T, 89I]) and from first-
principles molecular-
dynamics simulation within
(c ¼ 0, broken line) and
beyond (c ¼ 0.07, full line,
see text) the quasi-harmonic
approximation and from
other simulations (dotted
line [95I]) [10W]

with a volume V0 ¼ V[1-c(V-V0)/V0] [10W]. The deviation of the theoretical form of the experimental data
for the thermal expansion at higher temperatures is reduced, if the phonon frequencies are scaled with the
temperature-dependent volume [09W].

References
[77T] Touloukian, Y.S., Kirdby, R.K., Taylor, R.E., Lee, T.Y.R.: Thermophysical Properties of Matter, Plenum, New York
(1977) Vol. 13.
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[90A] Anderson, O.L., Zou, K.: J. Phys. Chem. Ref. Data 19 (1990) 69.
[95A] Anderson, O.L.: Equations of State of Solids for Geophysics and Ceramic Science (New York: Oxford University Press
1995)
[95I] Inbar, I., Cohen, R.E.: Geophys. Res. Lett. 22 (1995) 1533.
[99F] Fiquet, G., Richet, P., Montagnac, G.: Phys. Chem. Minerals 27 (1999) 103-111.
[00D] Dewaele, A., Fiquet, G., Andrault, D. Husermann, D.: J. Geophys. Res. Solid Earth 105 (2000) 2869.
[00K] Karki, B.B., Wentzcovitch, R.M., de Gironcoli, S., Baroni, S.: Phys. Rev. B 61 (2000) 8793; Karki, B.B., Wentzcovitch,
R.M.., de Gironcoli, S., Baroni, S.: Science 286 (1999) 1705; Karki, B.B.: Amer. Mineral. 85 (2000) 1447.
[00M] Martı́nez-Garcı́a, D., Le Godec, Y., Mézouar, M., Syfosse, G., Itié, J.P., Besson, J.M.: High Press. Res. 18 (2000) 339.
[00Z] Zhang, J.: Phys. Chem. Miner. 27 (2000) 145.
[01S] Speziale, S., Zha, C.S., Duffy, T.S., Hemley, R.J., Mao, H.K.: J. Geophys. Res. 106 (2001) 515.
[02A] Aguado, A., Bernasconi, L., Madden, P.A.: Chem. Phys. Lett. 356 (2002) 437.
[03O] Oganov, A.R., Dorogokupets, P.I.: Phys. Rev. B 67 (2003) 224110.
[04L] Luo, S.N., Swift, D.C., Mulford, R.N., Drummond, N.D., Ackland, C.J.: J. Phys.: Condens. Matter 16 (2004) 5435.
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MgO: Phonon Dispersion Curves, Phonon Density of States

Substance: Magnesium oxide (MgO)


Property: Phonon dispersion curves, phonon density of states (lattice properties)

Phonon Dispersion Curves, Phonon Density of States (rocksalt (B1) structure)


For the phonon dispersion curves and phonon density of states from PP-PW-LDA calculations at pressures
of 0.1 and 35 GPa see Fig. 1 [06G]. For the phonon dispersion curves and phonon density of states from
PP-LDA calculations at pressures of 0, 400, and 600 GPa see Fig. 2 [03O]. For similar results from

Fig. 1 MgO (rocksalt (B1) structure). Phonon dispersion curves and phonon density of states (a) at 0.1 GPa, (b) at 35 GPa.
Experimental data points from inelastic neutron scattering at 0.1 GPa from [67P, 70S]; data points from inelastic synchrotron
scattering at 35 MPa from [06G]; solid lines from PP-PW-LDA calculations [06G]

© Springer-Verlag GmbH Germany 2017 23


U. R€ossler, Semiconductors,
DOI 10.1007/978-3-662-53620-9_7
24 MgO: Phonon Dispersion Curves, Phonon Density of States

Fig. 2 MgO (rocksalt (B1) structure). Phonon dispersion curves and phonon density of states (DOS) at pressures of 0 (a),
400 (b), and 600 GPa (c) from PP-LDA calculations (lines) and from neutron scattering experiments at ambient conditions
(circles [66J, 67P, 70S]) [03O]
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CHAPTER II
CINCINNATI AND WASHINGTON

One day after we had been married less than a year my husband
came home looking so studiously unconcerned that I knew at once he
had something to tell me.
“Nellie, what would you think,” he began casually, “if I should be
appointed a Judge of the Superior Court?”
“Oh, don’t try to be funny,” I exclaimed. “That’s perfectly
impossible.”
But it was not impossible, as he soon convinced me. My father had
just refused the same appointment and it was difficult to believe that
it could now be offered to my husband who was only twenty-nine
years old. It was a position made vacant by the retirement from the
Bench of Judge Judson Harmon who was my husband’s senior by
more than a decade.
One of the most prominent and prosperous law firms in Cincinnati
was that of Hoadley, Johnston and Colston, and both Mr. Hoadley
and Mr. Johnston had been invited to go to New York and become
partners of Mr. Edward Lauterbach who was then doing an
enormous business.
They went, and the old firm in Cincinnati being broken up, Mr.
Colston asked Judge Harmon, who was then on the Superior Court,
to take Mr. Hoadley’s place. Mr. Harmon decided to do so, but he
was anxious to resign his judgeship in such a way as to leave a long
enough vacancy to attract a good man. It was an elective office and
the law provided that a vacancy occurring within thirty days before
election could not be filled by an election until the following year.
Judge Harmon resigned so as to make the appointment for a period
of fourteen months. After my father declined it, the choice lay
between Mr. Taft and Mr. Bellamy Storer. Mr. Taft always thought
that but for his opportunity in the Campbell case Judge Hannon
would not have recommended him and Governor Foraker would not
have appointed him. That is why he says he traces all his success
back to that occasion. Mr. Foraker was opposing counsel in the
Campbell case, but he had a lawyer’s appreciation for a lawyer’s
effort.
After the first pleased surprise at the honour which came to us so
unexpectedly I began to think; and my thinking led me to decide that
my husband’s appointment on the Bench was not a matter for such
warm congratulation after all. I saw him in close association with
men not one of whom was less than fifteen years older than he, and
most of whom were much more than that. He seemed to me
suddenly to take on a maturity and sedateness quite out of keeping
with his actual years and I dreaded to see him settled for good in the
judiciary and missing all the youthful enthusiasms and exhilarating
difficulties which a more general contact with the world would have
given him. In other words, I began even then to fear the narrowing
effects of the Bench and to prefer for him a diverse experience which
would give him an all-round professional development.
He did not share this feeling in any way. His appointment on the
Superior Court was to him the welcome beginning of just the career
he wanted. After serving the interim of fourteen months he became a
candidate for the office and was elected for a term of five years. This
was the only elective office Mr. Taft ever held until he became
President.
My own time and interest during that winter was largely spent on
my house. We had been very particular about the plans for it and had
fully intended that it should combine outward impressiveness with
inward roominess and comfort. It was a frame structure, shingled all
over, and with certain bay window effects which pleased me
exceedingly. In fact, with our assistance, the architect had made a
special effort to produce something original and, while I don’t claim
that the result was a conspicuous architectural success, to my mind it
was anything but a failure. And our view of the Ohio River and the
surrounding country was really superb.
But I was not destined to enjoy my satisfaction with my
surroundings very long. The section had been at one time a stone
quarry, and the man who had levelled off the land and filled in the
gulches made by the quarry operations, took as a part of his
compensation two building lots which happened to be just across the
street from ours. He forthwith proceeded to put up a sort of double
house which looked more like a gigantic dry-goods box than anything
else, and I felt that it quite robbed the neighbourhood of the “tone”
which I had confidently hoped our house would give it. The double
house had just one quality and that was size.
I think the owner, whose name was Jerry something, lived in one
side of it, and he had a tenant in the other who hung clothes out of
the front windows. But tastes in architecture differ, as we soon found
out.
We were paying taxes on our house at an assessed value of $4000
and the undervaluation had been troubling my husband’s conscience
for a long time, in spite of my assuring him that tax collectors ought
to know their own business. Some men from the board of
equalization were to call one day to make a new appraisement and I
had very much hoped that my husband would not be at home. But he
was; he was there to welcome them and give them every possible
assistance. Without waiting for an examination of the premises, he
addressed one of them, an Irishman named Ryan.
“See here, Mr. Ryan,” he said, “I understand that Jerry, my
neighbour across the street, has his property assessed at $5000. Now
I don’t think that’s fair. I’m assessed at only $4000 and I’m sure my
house cost a good deal more than his. As a matter of fact it cost over
$6000. Now I’m a Judge of the Superior Court; I get my income out
of taxes and I certainly have no disposition to pay any less than my
share.”
“Well, Judge, your Honour,” said Mr. Ryan, “that is a sentiment
very befitting your Honour. Now I’ll just be after goin’ over and
lookin’ at those houses of Jerry’s, and then I’ll come back and look at
yours.”
I watched them as they went over to the other houses; then I saw
them go up the street a way and down the street a way, looking us
carefully over from every possible view-point. When they came in
they wore a very judicial aspect and I expected to see taxes go up
with one wild leap.
“Well, Judge, your Honour,” began Mr. Ryan, “I think you’re givin’
yourself unnecessary concern. We assess houses for what they’re
worth and not for what they cost. While your house no doubt suits
your taste, it has a peculiar architectural style that wouldn’t please
very many people, and certainly it ain’t to compare with those houses
of Jerry’s. There’s a modern polish about those houses that will rent,
Judge, your Honour.”
My son Robert was born in this house on McMillan Street in
September, 1889. In the following February an interruption occurred
in our peaceful existence which was welcome at least to me.
President Harrison offered the appointment of Solicitor General of
the United States to Mr. Taft and he, with a few regretful glances at
his beloved Bench, accepted it. I think that once again it was Major
Butterworth who suggested my husband’s name to the appointing
power. I was very glad because it gave Mr. Taft an opportunity for
exactly the kind of work I wished him to do; work in which his own
initiative and originality would be exercised and developed. I looked
forward with interest, moreover, to a few years in Washington.
Mr. Taft made his first official arrival in Washington alone. My
baby, Robert, was only six months old and I concluded to remain in
Cincinnati until my husband could make arrangements for our
comfortable reception. His description of his first day in Washington
is, in the light of later events, rather amusing.
He arrived at six o’clock on a cold, gloomy February morning at
the old dirty Pennsylvania station. He wandered out on the street
with a heavy bag in his hand looking for a porter, but there were no
porters. Then he stood for a few moments looking up at the Capitol
and feeling dismally unimportant in the midst of what seemed to him
to be very formidable surroundings. He wondered to himself why on
earth he had come. He was sure he had made a fatal mistake in
exchanging a good position and a pleasant circle at home, where
everybody knew him, for a place in a strange and forbidding city
where he knew practically nobody and where, he felt sure, nobody
wanted to know him. He lugged his bag up to the old Ebbitt House
and, after eating a lonesome breakfast, he went to the Department of
Justice to be sworn in. After that ceremony was over and he had
shaken hands with the Attorney General, he went up to inspect the
Solicitor General’s Office, and there he met the most dismal sight of
the whole dismal day. His “quarters” consisted of a single room,
three flights up, and bearing not the slightest resemblance to his
mental picture of what the Solicitor General’s offices would be like.
The Solicitor General’s stenographer, it seemed, was a telegrapher in
the chief clerk’s office and had to be sent for when his services were
required. Altogether it must have been a very disheartening outlook.
As Mr. Taft sat looking over briefs and other papers, and trying to
get some definite idea about his new work, a messenger brought in a
card.
“Mr. Evarts, New York,” it read.
Evarts was a well-known name, of course, but it was hard for Mr.
Taft to believe that the William M. Evarts, leader of the American Bar
and then Senator from New York, could be calling on the Solicitor
General of less than a day. He knew that Wm. M. Evarts had known
his father.
Mr. Evarts entered.
“Mr. Taft,” he said, as he gave my husband’s hand a cordial grasp,
“I knew your father. I was in the class of ’37 at Yale and he had
graduated before I entered; but he was there as a tutor in my time
and I valued his friendship very highly.”
Then the visitor came straight to the point.
“Mrs. Evarts and I are giving a dinner to-night for my former
partner and his wife, Mr. and Mrs. Joseph Choate. Mr. Choate is in
Washington for a short time to argue a case before the Supreme
Court. Now, unfortunately, one of our guests has sent word that he
can’t come and I thought, perhaps, considering my long-standing
friendship with your father, you might consent to waive ceremony
and fill the place at our table at this short notice.”
My husband accepted the invitation with almost undue alacrity,
and when his guest left started in on his new duties feeling that, after
all, Washington might afford just as friendly an atmosphere as
Cincinnati, once he became accustomed to it.
There is just one incident in connection with the dinner party
which Mr. Taft adds to his account of that day. As he sat down to
dinner the ladies on either side of him leaned hastily forward to see
what was written on his place card. “The Solicitor General”—that was
all. Of course neither of them knew who the new Solicitor General
was and it didn’t occur to him to enlighten them until it was too late
to do it gracefully. So he allowed them to go on addressing him as
“Mr. Solicitor General” while he, having them at an advantage,
addressed them by the names which he had surreptitiously read on
their place-cards. They were Mrs. Henry Cabot Lodge and Mrs. John
Hay.

MRS. TAFT, WITH ROBERT AND HELEN, WHEN MR. TAFT


WAS SOLICITOR GENERAL

When my husband had been in Washington two weeks I joined


him and we took a small house on Dupont Circle where for two years
we lived a life, sometimes amusing, sometimes quite exciting, but, on
the whole, of quiet routine.
Washington society was much simpler then than it is now. Since
that time a great many people of very large means have gone to
Washington to live because of its unusual attractions and its
innumerable advantages as a residential city. They have changed
Washington, by their generous hospitality, into one of the most
brilliant social centres in the world, where large dinner parties, balls,
receptions, musicals and other entertainments are of daily and
nightly occurrence throughout the season. The very character of the
streets has changed. The small, red brick houses, closely grouped
together and neighbouring, even in fashionable quarters, on negro
shacks and cheap tenements, are being everywhere replaced by
marble and granite residences of great beauty and luxury.
In 1890 Society in Washington still consisted, chiefly, of the “best
families” of the old city, the Diplomatic Corps and the highest among
the government officials. A dinner party of twelve was still
considered large, and only a few people had weekly evenings At
Home. There were occasional big receptions, but for nobody was
society the mad rush that it is to-day. We ourselves lived very simply
even for those simple days.
My daughter Helen was born in 1891, so for the last year in
Washington I had two small babies to care for. In order that he might
get a little much needed exercise Mr. Taft bought a horse and,
fortunately, for us, he secured a most adaptable creature. He was
supposed to be a riding horse, but he didn’t mind making himself
generally useful. The Attorney General lent us a carriage which he
was not then using—a surrey, I think it was called—and we hitched
him to that; and the whole Taft family drove out of a Sunday
afternoon to the Old Soldiers’ Home, which was the fashionable drive
in those days, or up the aqueduct road to Cabin John’s bridge. My
sister Maria who visited us used always to speak of our steed as
“G’up,” a name suggested by Bobby’s interpretation of his father’s
invocations to the good-natured and leisurely beast. Poor old “G’up”!
I suppose with his “horse sense” he finally realised that he was
leading such a double life as no respectable horse should lead; he
gave up and died before we left Washington.
The Justices of the Supreme Court and the Attorney General, the
men with whom Mr. Taft came most in contract, were, with their
wives, very kind and attentive to us, including us in many of their
delightful parties. Chief Justice Fuller was then the head of the court
and I have the pleasantest memories of his and Mrs. Fuller’s
hospitality. Justice Grey had married a Miss Matthews, a daughter of
Mr. Justice Matthews. I had known Mrs. Grey in Cincinnati before
her marriage.
During the course of my first weeks in Washington Mr. Taft had
taken special pains to impress on me many times the necessity for
my calling on Mrs. Grey without any delay. Much importance
attached to the formality of first calls and I was the newest of
newcomers who had to call on the wives of all my husband’s official
superiors before they noticed me. Still, it was a full month before I
had time to go to Mrs. Grey’s and I was considerably worried about
it. But when, finally, I did go and had been most kindly received, I
explained at once that the settling of myself and my small baby in a
new house had, until then, kept me too busy for any calls. Mrs. Grey
hastened to assure me that she understood my position perfectly and
had not thought of blaming me.
“Indeed, my dear,” she said, “I knew that you had a small baby in
the house and that you must be kept constantly occupied. As a
matter of fact I should have waived ceremony and come myself to
welcome you to Washington except for one thing which I could not
very well overlook, and that is—that Mr. Taft has not yet called on
Mr. Justice Grey.”
I think I have rarely seen anything more satisfactorily amusing
than the expression on my husband’s face when I told him this.
But, in spite of the friendliness of the Justices and others, we really
went out very little. On one occasion when my sister Maria had been
visiting us for several weeks we went for a Sunday night supper to
the house of a lady whom Maria had known very well in Cincinnati.
She was living that winter in Washington and seemed to be rather
well pleased with her social success. She talked loftily throughout
supper, and during a good part of the evening, about the dinner
parties she had attended and the grand people she had met. Then
just as we were about to start home she turned to my sister and said:
“And have you been much entertained, my dear Maria?”
“Oh, I’ve been enjoying myself tremendously,” was the answer.
“Well, with whom have you dined, dear?” persisted our hostess.
“Why, we’ve dined with the Andersons, with the German
Ambassador, with the Chief Justice, and with the Maurys, and with
the French Ambassador,—and with, oh, a number of other people.”
Our hostess was visibly impressed.
“Why! you really have been very gay, haven’t you, dear!” she
exclaimed.
When we got into our cab to go home Maria turned to my husband
and said:
“I had my eye on you all the time I was talking, Will Taft. I was
perfectly certain that your terrible sense of fact would overcome you
and that you would blurt out that I dined with all those people on the
same evening at the same dinner party!”
President Harrison, in March, 1892, appointed my husband on the
Federal Circuit Bench, so once more I saw him a colleague of men
almost twice his age and, I feared, fixed in a groove for the rest of his
life. However, he was greatly pleased and very proud to hold such a
dignified and responsible position at the age of thirty-four. I think he
enjoyed the work of the following eight years more than any he has
ever undertaken.
We moved back to Cincinnati. Mr. Taft’s circuit included parts of
Ohio, Kentucky, Tennessee, and Michigan—reached in fact, from
Lookout Mountain to Marquette, and he was much away from home.
My own life during those years in Cincinnati was very busy, for, in
addition to my occupation with family and friends, I became
interested in a number of civic movements.
My principal work was the organisation and management of the
Cincinnati Orchestra Association. I found, at last, a practical method
for expressing and making use of my love and knowledge of music.
We had not had a good symphony orchestra in the city since
Theodore Thomas left, but with our music-loving population it was
only necessary that somebody should take the initiative and arouse
definite enthusiasm and keep it going, in order to establish and
maintain such an institution. There were many public-spirited
citizens, some of them true music-loving Germans, and I saw no
reason why I should not get strong popular support for my project. I
was not disappointed. From the first the response was general and
generous and we did not have much difficulty in raising the
necessary funds for financing the orchestra, although in addition to
our box-office receipts, we had to secure $30,000 a year for six
consecutive years. It could not have been done had it not been for
such liberal friends as my brother and sister, Mr. and Mrs. Charles P.
Taft, Mr. Charles Krippendorf, Mr. M. E. Ingalls, Mr. and Mrs. L. A.
Ault, Mrs. Charles Fleishmann, Mr. J. G. Schmidlapp and others.
For the first year we had three different directors, Mr. Seidl, Mr.
Schradick and Mr. Van der Stücken, who came to Cincinnati and led
two concerts each. Then we secured Mr. Van der Stücken as a
permanent leader and he remained with the orchestra ten years.
I think I regretted the Cincinnati Orchestra Association more than
anything else when we left for the Philippines, but I left it in good
and well-trained hands. Mrs. C. R. Holmes, who succeeded me as
President of the Association, had taken a great part in the original
work of organisation and management, as had my sister-in-law, Mrs.
Charles P. Taft, and others. Through their efforts the orchestra has
been enlarged and improved and it is still a source of great pride and
satisfaction to the city of Cincinnati. Mrs. Charles Taft is now the
President and through her interest, activity and generosity it has
been enabled to grow in excellence.
Except for the orchestra, our life was tranquil; quite too settled, I
thought, and filled with the usual homely incidents connected with
housekeeping and the entertaining development of small children.
My youngest child, Charles, was born in 1897, and my family was
thus complete.
I come now to the years which we gave to the Philippine Islands
and I must say that I wonder yet how our lot happened to be so cast.
There had never been any unusual interest in our family as to the
results of the Spanish-American War. Like most patriotic Americans
we had been greatly excited while the war was in progress and had
discussed its every phase and event with a warmth of approval, or
disapproval, as the case might be, but it did not touch us directly,
except as citizens, any more than it touched the vast majority of the
people of the United States. And yet, it came to mean more to us
personally, than any other event in our times. The whole course of
my husband’s career was destined to be changed and influenced by
its results.
Mr. Taft was strongly opposed to taking the Philippines. He was
not an anti-imperialist in the sense that he believed the Constitution
required us to keep the boundaries of the United States within their
continental limits, but he thought the Antipodes rather a far stretch
for the controlling hand, and he thought the taking of the Philippines
would only add to our problems and responsibilities without
increasing, in any way, the effectiveness and usefulness of our
government.
Oddly enough, he had expressed himself to that effect when he
happened, during the Spanish War, to be dining with a number of
judges including Justice Harlan who, although later an anti-
imperialist, was at that time strongly upholding the policy of taking
over Spanish territory in both oceans.
Mr. Taft knew just about as much about the Filipino people as the
average American knew in those days. What he definitely knew was
that they had been for more than three centuries under Spanish
dominion and that they now wanted political independence. He was
heartily in favour of giving it to them.
It was one day in January, 1900, that he came home greatly
excited and placed before me a telegram.
“What do you suppose that means?” said he.
“I would like to see you in Washington on important business
within the next few days. On Thursday if possible,” it read. And it
was signed—William McKinley.
We didn’t know and we couldn’t think what possible business the
President could have with him. I began to conjure up visions of
Supreme Court appointments; though I knew well enough that
Supreme Court appointments were not tendered in that fashion and
besides there was no vacancy.
Mr. Taft lost no time in responding to the President’s summons
and I awaited his return with as much patience as I could muster. In
three days he came home with an expression so grave that I thought
he must be facing impeachment. But when he broke his news to me it
gave me nothing but pleasure.
“The President wants me to go to the Philippine Islands,” he said,
in a tone he might have used in saying: “The President wants me to
go out and jump off the court house dome.” “Want to go?” he added.
“Yes, of course,” I answered without a moment’s hesitation. I
wasn’t sure what it meant, but I knew instantly that I didn’t want to
miss a big and novel experience. I have never shrunk before any
obstacles when I had an opportunity to see a new country and I must
say I have never regretted any adventure.
“The President and Mr. Root want to establish a civil government
in the Philippines,” said Mr. Taft, “and they want me to go out at the
head of a commission to do it.” It was only after I had accepted the
invitation to go ten thousand miles away that I asked for an
explanation.
In answer to the President’s proposal, Mr. Taft said that he didn’t
approve of the acquisition of the Philippines in the first place, and
that in the second place he knew nothing about colonial government
and had had really no experience in executive work of any kind. But
Mr. McKinley did not accept these objections as final. He called in
Mr. Root, who was then Secretary of War, and who would be Mr.
Taft’s chief in the proposed mission to the Philippines, and together
they presented the case so strongly that my husband could not help
but waver in his decision. Neither Mr. McKinley nor Mr. Root had
rejoiced in the taking over of the Philippines for that matter, but that
was beside the question; the Philippines were taken, and it behooved
the United States to govern them until such time as their people had
learned the difficult art of governing themselves.
Mr. Root said:
“The work to be done in the Philippines is as great as the work
Livingston had to do in Louisiana. It is an opportunity for you to do
your country a great service and achieve for yourself a reputation for
the finest kind of constructive work. You have had a very fortunate
career. While you are only slightly over forty you have had eight
years on the Federal Bench, three years on the State Bench and two
years as Solicitor General. These places you have filled well, but they
have been places which involved no sacrifice on your part. Here is a
field which calls for risk and sacrifice. Your country is confronted
with one of the greatest problems in its history, and you, Judge Taft,
are asked to take immediate charge of the solution of that problem
7,000 miles away from home. You are at the parting of the ways. Will
you take the easier course, the way of least resistance, with the
thought that you had an opportunity to serve your country and
declined it because of its possible sacrifice, or will you take the more
courageous course and, risking much, achieve much? This work in
the Philippines will give you an invaluable experience in building up
a government and in the study of laws needed to govern a people,
and such experience cannot but make you a broader, better judge
should you be called upon again to serve your country in that
capacity.”
My husband promised to consult with me and with his brother
Charles and give his answer in a few days. He didn’t know whether or
not I would be willing to go, but that was a question soon settled.
His resignation of his judgeship was the greatest difficulty. The
President told him he did not think it would be at all necessary for
him to resign since the work in the Philippines would take only about
six months—nine months at the longest—and that he could absent
himself from his duties for that length of time, and for such a
purpose, without fear of any kind of unfortunate consequences. Mr.
Taft’s investigation and study of the situation immediately convinced
him that Mr. McKinley was wrong in his expectation that the work
could be done so quickly. Nor did Mr. Root have any such idea. Even
with the meagre information which was then available, my husband
at once saw that it would be years before the Philippine problem
would begin to solve itself. So he resigned from the Bench; the
hardest thing he ever did.
After sending in his acceptance he went immediately to
Washington to discuss with Mr. McKinley and Mr. Root the whole
situation and, especially, the names of four other men who were to be
chosen to serve with him on the Commission. He had met Mr.
Worcester, a member of the first Commission, and had got from him
a great deal of valuable data. If Professor Shurman, the chairman of
the first Commission, had become a member of the second, he
probably would have been at its head, but he did not, and this
position fell to Mr. Taft. He was thereafter known as President of the
Commission, until civil government was organised in the Philippines
and he became governor.
After he had gone to Washington I began at once to make hasty,
and I may say, happy preparations for my adventure into a new
sphere. That it was alluring to me I did not deny to anybody. I had no
premonition as to what it would lead to; I did not see beyond the
present attraction of a new and wholly unexplored field of work
which would involve travel in far away and very interesting
countries. I read with engrossing interest everything I could find on
the subject of the Philippines, but a delightful vagueness with regard
to them, a vagueness which was general in the United States at that
time, and has not, even yet, been entirely dispelled, continued in my
mind. There were few books to be found, and those I did find were
not specially illuminating.
I gave up my house in Cincinnati and stored my belongings,
packing for shipment to the Orient only such things as I thought
would be absolutely necessary. We were to leave almost immediately
and I had very little time in which to do a great many things. Mr. Taft
came back to Cincinnati for a short period and we entered upon a
busy season of good-bye hospitality. Everybody we knew, and we
knew nearly everybody, wanted to give us a farewell dinner or
entertainment of some sort. Mr. Taft, especially, was fêted in a way
which proved to him how much more widely he was valued in his
native town than he had ever realised. In the opinions of people then
we were going, sure enough, to the ends of the earth, and many of
our friends were as mournful about it as if they had private
foreknowledge that it was to be a fatal adventure.
When the banquets and dinners and luncheons and receptions and
teas had all been given; when the speeches had all been made, and
the good-byes had all been said, Mr. Taft hastened off to Washington
once more to meet his colleagues and make final arrangements, and I
was not to see him again until we met in San Francisco a week before
the date set for sailing.
I asked my sister Maria to go with me for the first year, and she
accepted with delight. So, one morning in early April, with our world
waving at us from the platform of the station, we started south to join
the Southern Pacific railroad at New Orleans and to make our way
from there to Los Angeles and so to San Francisco.
CHARLIE TAFT WHEN HE WENT TO
THE PHILIPPINES

I had with me my three children, Robert, Helen and Charlie.


Robert was ten years old, Helen eight, while Charlie, my baby, was
just a little over two. It did not occur to me that it was a task to take
them on such a long journey, or that they would be exposed to any
danger through the experience. They were normal, healthy and very
self-reliant little people and I made preparations for their going
without giving the matter a moment’s unhappy consideration. But I
was to receive a few shocks in this connection later on. One of these
came when I learned that some members of the party had left their
children at home for fear of the Philippine climate. Then one day, at
the old Palace Hotel in San Francisco, I was sitting on guard over
Charlie as he played up and down a wide corridor, and reading a
book at intervals, when along came an odd-looking elderly
gentleman who stopped to regard the boy with a smile of the
kindliest amusement. Charlie was an attractive child. Even I couldn’t
help but see that, and I was used to having people stop to watch him.
He had big, dark eyes, soft, brown curls, very deep dimples, and a
charming smile that was always in evidence. The elderly gentleman
stood watching him for some little time, his face growing gradually
very grave, and I wondered what he was thinking about. He didn’t
keep me wondering long. After a few moments he stepped
deliberately up to me and said:
“Madam, I understand you are going to the Philippine Islands.
Now I want to know if you are going to take that great, big, beautiful
boy out to that pest-ridden hole and expose him to certain
destruction.”
I grabbed my great, big, beautiful boy and rushed off to my room,
and it was a relief eventually to learn that the awful Philippine
climate, at least so far as children were concerned, existed, largely, in
people’s minds.
We found intense interest in our mission in California and San
Francisco. If there were any anti-imperialists there, they successfully
concealed themselves. The East was uncomfortably crowded with
them in those days, but the evident interest and profit that the West
coast would derive from a large Philippine trade may have been
responsible for the favourable attitude of the Californians. However,
we must not impeach their patriotism, and we ought to attribute
some of their enthusiasm in reference to the Philippines, and our
assuming control over them, to the natural enterprise of a people
who had themselves gone so far in a land of development and hope.
Everything that could be done to make smooth the path of the new
Commission was done. At their own request the powers of the
Commissioners were carefully defined so that complications with the
military government then in force in the islands, might be avoided.
They were given equal rank with ministers plenipotentiary in the
matter of naval courtesies and precedence; and Mr. Root drafted a
letter of instructions, which the President signed, outlining their
duties in such precise and correct detail that it was afterward
adopted and ratified in its entirety in the act of Congress by which
the Philippine government was established.
So—I believed we were going to have “smooth sailing” in every
sense, when we started on the long voyage with which began this
interesting experience.
CHAPTER III
TO THE PHILIPPINES

The United States Army Transport Hancock had been assigned to


the Commission for the trip from San Francisco to Manila and it was
at noon on a pleasant day in mid-April—the seventeenth—that she
pulled away from the crowded dock and headed straight for the
Golden Gate and the long path across the Pacific that leads to the
other side of the world. There were forty-five people in our party and,
although most of us had met for the first time in San Francisco, we
soon became well acquainted, as people do on shipboard, and
proceeded at once to prove ourselves to be a most harmonious
company.
The Hancock was the old Arizona, a one-time greyhound of the
Atlantic, which the Government had purchased and remodelled for
service as an army transport. A considerable fleet of such vessels
plied the Pacific at that time, carrying large consignments of troops
to and from the Philippines and, though there are not so many now, I
still read with interest of the comings and goings of ships whose old,
friendly sounding names became so familiar to us in the course of
our residence in the East. The Grant, the Sherman, the Sheridan, the
Thomas, and others, all named for great American generals, awaken
memories of interesting days. The Hancock was later given up by the
Army and turned over to the Navy on account of her heavy
consumption of coal. She is now used as a recruiting ship at the
Brooklyn Navy Yard.
We found her very comfortable. There were few people aboard
besides the members of our party, and, as she was equipped to carry
the officers and men of an entire regiment, we found ourselves
commodiously quartered. Moreover, the commissary of the transport
service had received instructions to give us excellent fare; this, I
believe, through the thoughtful kindness of Mr. McKinley himself.
Mr. McKinley never failed to take a personal interest in the
everyday welfare of all those in his administration who came under
his own observation and we were made to feel this throughout our
experience on the Philippine Commission, while he lived. On every
appropriate occasion we were certain to receive from him some
kindly compliment, a cablegram or other communication, and it
made everybody who came within range of his influence anxious to
serve him well and to make the work which was being done
satisfactory and pleasing to him. I owe to our connection with
President McKinley’s administration some of my happiest
recollections.
The men who made up the second Philippine Commission were
Mr. Taft, General Luke E. Wright of Memphis, Tennessee; Judge
Henry C. Ide of Vermont, Professor Dean C. Worcester of the
University of Michigan, and Professor Bernard Moses of the
University of California. A short introduction of my husband’s
colleagues and the members of their families who went with them to
the Philippines will be necessary at this point, because I was destined
to be constantly associated with them during four of the most
interesting years of my life. Our co-operation, social and
governmental, was based upon a common purpose, and our
attachment to this purpose, as well as the bonds of friendship which
united us, were greatly strengthened by the opposition we had to
meet for some months after we reached Manila, not only from the
Filipinos, but also from the military government which the
Commission was sent out gradually to replace.
The men of the Commission, coming, as they did, from different
parts of the United States, were widely contrasted, no less in
associations than in their varied accents and family traditions.
General Wright was, and is, one of the ablest lawyers in Tennessee,
and enjoyed, at the time of his appointment on the Commission, the
finest practice in Memphis. He is a Democrat; and old enough to
have been a lieutenant in the Civil War on the Confederate side. But
perhaps his finest laurels for bravery and devotion to duty were won
at the time when he exerted himself to save Memphis in the days
when she was in the grip of a terrible epidemic of yellow fever. I don’t
know the exact year, but the epidemic was so out of control that all
who could, left the city, while General Wright remained to organise
such resistance as could be made to the spread of the dread disease.
Mrs. Wright was a daughter of the famous Admiral Semmes of the
Confederate Navy and for some time after the war she travelled with
her father in Mexico and abroad, thereby acquiring at an early age a
very cosmopolitan outlook. Admiral Semmes was a great linguist and
Mrs. Wright inherited his gift. She had learned to speak Spanish in
her girlhood, so when she arrived in Manila she had only to renew
her knowledge of the language. General and Mrs. Wright had with
them their daughter Katrina, who was then about fourteen years old,
but their two sons, one a naval officer, did not join them in the
Philippines until later.
General Wright had, on the whole, the most delightful social
qualities of anybody on the Commission. He had a keen sense of
humour and could recount a great number of interesting personal
experiences with a manner and wit which made him, always, a
delightful companion. He was a devotee of pinochle and he
instructed the entire party in the game until it was played from one
end of the ship to the other. He was slow to anger, very deliberate
and kindly in his judgments, and offered at times a decided contrast
to his wife who was a little more hasty and not infrequently founded
judgments on what he would jocosely criticise as “a woman’s
reason.”
Judge Ide was born and bred a Vermonter and had many of the
rugged characteristics of the Green Mountain State, not the least
among which is a certain indefinable, but peculiarly New England
caution. In addition to a large and active law practice in both New
Hampshire and Vermont, he had banking connections through
which he had gained a better knowledge of business and finance than
is possessed by the average lawyer. Moreover, a long term as Chief
Justice of Samoa had given him diplomatic experience and a
knowledge of the Polynesian races which were to serve him well in
his work in the Philippines. As Chief Justice he exercised diplomatic
and consular as well as judicial functions, and his position brought
him in close relations with the English and German officials of the
joint protectorate of the Samoan islands and in constant social
contact with the naval officers of many countries whose ships very

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