X-ray absorption Spectroscopy

Dr. Gavin Mountjoy, University of Kent, UK

Nell'ambito del programma "Visiting Professor",

finanziato dalla Regione Sardegna.
 Outline
1) Introduction
2) Theory of X-ray Absorption Spectroscopy
3) Experimental Method
4) EXAFS Theory
Experimental Method
Data Analysis
Examples
5) XANES Theory
Experimental Method
Data Analysis
Examples
6) Conclusions
 1) Introduction
X-ray Absorption Spectroscopy (XAS)
• is a structural characterisation technique
• uses X-rays as a "probe" of structure
• spectroscopy = measure the energy of an interaction

Two methods:
• EXAFS FS = Fine Structure
• XANES NE = Near Edge
 Structural characterisation techniques
• study the interaction of a "probe" with a sample
• knowledge of interaction → information about structure
• different types of probes → different types of interactions
• different types of probes
– electromagnetic radiation
– particles
– physical contact

→ different energy
– used for spectroscopy
different wavevector
– used for scattering
 X-rays
• a type of electromagnetic radiation
– higher energy compared to UV light
• energy E in electron volts (eV) or kilo eV (keV)
– where1 eV = 1.6 10-19 J, and blue light has E = 3 eV

• energy E from 120 eV (soft) to 120 keV (hard) E (keV ) = 12.4keV

• wavelength λ from 100 Å to 0.1 Å ()
λ A
 Sources of X-rays
• natural sources of high energy rays
– radioactive isotopes (gamma rays)
– cosmic rays

• artificial processes which produce X-rays

– excitation of core electrons in atoms (energy from 100s eV to 10s keV)
– acceleration of electrons causes emission of electromagnetic radiation

• artificial sources of X-rays

– X-ray tube (cost €1k) by excitation of core electrons
– synchrotron (cost €500M) by acceleration of electrons
 Alternative X-ray sources
• rotating anode
– lab-based source based similar to X-ray tubes

• energy dispersive X-ray absorption spectroscopy

– simultaneously measures X-rays of different energies
 Encountering X-rays
• X-rays are harmful to human tissue
– require sheilding using heavy elements, e.g. Pb
• in everyday life
– "box" television: uses accelerated electrons to make picture
– airport security: X-rays are penetrating
– medical imaging: X-rays are penetrating
• in laboratory
– electron microscope: uses accelerated electrons to make picture
– X-ray diffraction: X-ray wavelength ~ atom size
– X-ray fluorescence: X-rays are unique to each element
 Interaction of X-rays with atoms
• X-rays interact with electrons in atoms
(i) elastic scattering (no energy transfer)
– used in X-ray diffraction
(ii) inelastic scattering (some energy transfer)
– called "Compton scattering"
– similar to Raman spectroscopy
(iii) absorption (all energy transferred)
– similar to infrared spectroscopy
elastic
inelastic

* absorption
 Not to be confused with
• Energy-Dispersive X-ray Spectroscopy (EDX or EDS)
• X-ray Fluorescence Spectroscopy (XRF or XRS)

• no word "Absorption"
• completely different techniques! EDX

XRF
 2) Theory
• Transmission of X-rays is given by IT=I0exp(-µt)
– Beer-Lambert law for infrared spectroscopy
– t is thickness
– µ is linear absorption coefficient
– µ increases with atomic number Z (more electrons)
• Absorption coefficient is defined µt=ln(I0/IT)
• spectroscopy: measure µt as a function of energy E
– t is constant
– µ decreases with E (X-ray more penetrating)

absorption µt
sample
X-ray
detector detector
X-ray energy E
 X-ray absorption edges
• Absorption edges occur for each shell of core electrons
– when E ~ binding energy of core electron

• X-ray absorption edges are labelled after core electrons

K: 1s1/2 L1: 2s1/2 L2: 2p1/2 L3: 2p3/2 (nj notation)

– note that emitted X-rays

have slightly different labels
Kα, Kβ

• energy of absorption edge E0

is unique for each element
– element-specific technique
 Absorption edge energies
• difficult for light elements, e.g. Z<22 (Ti)
• for heavy elements use L3 edge, e.g. Z>57 (La)
100
X-ray absorption edge energy (keV)

40 keV
K-edge
10 L3-edge
4 keV

1
10 20 30 40 50 60 70 80
atomic number (Z)
 Element-specific technique
• sample contains several elements
• each element has several X-ray absorption edges
• measurement of a single X-ray absorption edge
• other edges form a uniform background

whole sample single edge of element X

total
absorption µt

absorption µt
background
element X from X
element Y background
element Z from Y& Z
X-ray energy E X-ray energy E
 The excited atom
• atom which absorbs X-ray is "excited"
• core electron which absorbs X-ray is ejected from core shell
– sometimes involves "many-electron" effects
• core shell is now has a "core hole"
– other electrons are less shielded from nucleus and "relax"
• another atomic electron drops down in to fill core hole
– timescale for this is called core-hole "lifetime"
• this releases energy similar to X-ray energy
– new X-ray released (X-ray fluorescence)
– additional atomic electron ejected (Auger electron)
 The photo-electron
• core electron undergoes transition to a higher energy state
– called a photo-electron
– energy of new state = X-ray energy E - binding energy ionisation
photo-electron
• higher energy state must be:
– unoccupied
– around the excited atom
– obey the dipole selection rule, ∆= 1, e.g. s → p
• molecular orbital approach: → LUMO
• band structure approach : → conduction band
binding
X-ray energy E energy

core electron
 Regions of the absorption edge

E0=absorption edge energy Ti K-edge

-5.6
1) pre-edge region (E<E0)

µt (arbitrary offset)
– background with form µt~E-n -6

– does not contain structural information

-6.4
2) near edge region (→XANES)
– E from ~10eV below to ~30eV above E0
-6.8
4800 5000 5200 5400
3) post-edge region (→ EXAFS) E (eV)
– E from ~30eV to ~1000eV above E0 E0=4966eV
 3) Experimental method
Based on synchrotrons
• disadvantage of synchrotrons
– very expensive (cost €500M)
• advantage of synchrotrons
– greater number of X-rays produces
– greater energy range X-ray energies
Rosalind Franklin's
1953 X-ray diffraction
photograph from DNA.

20Å
recent X-ray diffraction
of ATP protein
 ESRF = European Synchrotron

– acceleration of electrons causes

emission of electromagnetic radiation
– energy of radiation is manipulated
by using bending magnets
 Beamline
(1) synchrotron

(2) monochromator

sample
(3) experiment area

(4) control area

 Monochromator
• synchrotron produces a wide range of X-ray energies
• a single X-ray energy E (or λ) is selected using a monochromator
– works on the principle of Bragg diffraction
• a spectrum is obtained by scanning angle θ of the monochromator

e.g. Ti K-edge E=4966 eV

λ=2.5 Å
Si (111) monochromator
θ = 23.5
 Experimental area
Station 8.1, SRS, Daresbury, U.K.

sample

X-ray
detector detector
– Transmission of X-rays is given by IT=I0exp(-µt)
– Absorption coefficient is defined µt=ln(I0/IT)
 Detecting X-rays
For a transmission measurement
• ionisation chamber:
– a tube containing gas which is ionised by X-rays
– a voltage is applied to collect the ionised electrons and emits a pulse

Other types of X-ray detector

• semiconductor:
– semiconductor in which electron-hole pairs are created by X-rays
• scintillator:
– a material which responds to X-rays by emitting light
• photographic film:
– too slow!
 Sample requirements
• measurement requirements:
– ideal: µt=0.6 before and µt=1.6 after the absorption edge
– too little absorption → µt~0, too much absorption → IT~0

• sample requirements:
– need uniform, thin sample, e.g. 10 milligrams
– dilute in light supporting medium, e.g. sellotape, polyethelene
– cryostat (4 K) or furnace (800 K) can be used with light windows

• samples not suitable for standard transmission measurement

– too dilute, so not enough excited atoms in beam
– restricted to a film on the surface, or sample too thick
– elements with low X-ray energy, so transmitted X-rays absorbed
 Other types of measurement
fluorescence detector
Fluorescence
• signal comes from Fluorescence X-rays IF
– need reflection geometry and to avoid self absorption
sample
– use semiconductor detector
X-ray
detector
Total Yield
• signal comes from the current of ejected photo-electrons
– need a conducting sample

Reflection EXAFS
– absorption of "ephemeral" X-rays in grazing incidence
 Regions of the absorption edge

E0=absorption edge energy Ti K-edge

-5.6
1) pre-edge region (E<E0)

µt (arbitrary offset)
– background with form µt~E-n -6

– does not contain structural information

-6.4
2) near edge region (→XANES)
– E from ~10eV below to ~30eV above E0
-6.8
4800 5000 5200 5400
3) post-edge region (→ EXAFS) E (eV)
– E from ~30eV to ~1000eV above E0 E0=4966eV
 4) EXAFS
Extended X-ray Absorption Fine Structure (EXAFS)
or X-ray Absorption Fine Structure (XAFS)
 EXAFS: Theory
(1) photo-electron excited to state photo-electron
kinetic
significantly above binding energy energy KE
– becomes "quasi" free-electron
ionisation
– kinetic energy KE = E - binding energy

binding
X-ray energy E energy
 higher E,
larger KE,
smaller λ

photo-electron
kinetic
energy KE
ionisation
lower E,
smaller KE,
Quantum larger λ
Mechanics
(2) photo-electron wavefunction
leaves excited atom
– circular wavefunction
– wavelength

λ (A ) =
12.2 binding
KE ( eV ) X-ray energy E energy
(3) elastic scattering of photo-electron
by neighbouring atoms

(4) original and scattered wavefunctions

undergo interference
– this is like diffraction

waves re-inforce waves cancel

amplitude increases amplitude decreases
(constructive interference) (destructive interference)
 lower E, higher E,
larger λ, smaller λ,
smaller k, larger k,
destructive interfer. constructive interfer.

• interference depends on
number of wavelengths λ
per distance travelled 2R
– constructive if 2R/λ = n

• phase difference

absorption µt
= 2π 2R/λ = 2kR
– constructive if 2kR = 2πn

• wavevector k = 2π/λ

interference ≈ N sin(2kR) X-ray energy E

photo-electron wavevector k
• interference oscillation depends on
distance to neighbour atoms, R
• interference amplitude depends on
number of neighbour atoms, N

X-ray energy E
photo-electron wavevector k
• EXAFS of oxygen K-edge in H2O (soft X-ray)

absorption edge

distance R

Fourier
Transform

interference

X-ray energy E

photoelectron wavevector k
 Analysing the oscillations
• interference gives • Fourier Transform gives
an oscillating function Fourier a peaked function
of wavevector k Transform of distance R

k R1

k R2

k R1 R2
 EXAFS formula

f (k , R j ) sin (2kR j + 2δ ( k ) + ψ (k , R j )) exp(− Aj k 2 ) exp(− 2 R j / λ (k ))

Nj
χ (k ) = S 2
0 ∑ kR 2
j j

• amplitude also depends on

structural disorder
– Debye-Waller factor A=2σ2
where σ is standard deviation in R
• also depends on atomic parameters
– phase at central atom δ,
and phase at neighbour atom Ψ
– scattering power of neighbour atom f
– can be calculated ab initio
 Multiple scattering
• EXAFS theory is based on single-scattering
– photoelectron is scattered by neighbouring electron
– scattered wave returns directly to excited atom
– interference distance is 2Ra

• scattered waved can itself be scattered

– second scattered wave returns to excited atom
– interference distance is Ra+Rb+Rc ≠ 2R
– but distance is always greater than first neighbour
 EXAFS: Experimental method
• obtaining good Fourier Transform of sin(2kR)
requires large value of k, hence large range of E
k (A −1 ) = 0.51 KE (eV )
– scan X-ray energy up to E0+1000 eV
– photo-electron k up to 16 Å-1
• need high signal to noise
– interference oscillations will be multiplied by kn
Ti K-edge

• typical measurement time 1-2 hrs -5.6

µt (arbitrary offset)
– faster (10 mins) for good sample and beamline
– for dilute sample may need 4 hrs -6

– 1 day on beamline costs €5000

-6.4

-6.8
4800 5000 5200 5400
E (eV)
 EXAFS: Data analysis
• fit background to pre-edge and post-edge regions
– this represents photo-electron from isolated atom = NO structure

Pd K-edge
of Pd metal
µt(E)

energy E

• take difference between sample and background

µtsample − µt post −edge
χ (E ) =
µt post −edge − µt pre−edge
• χ(k) contains structural information
– can be compared with sin(2kR)
– use Fourier Transform

Pd K-edge
of Pd metal
χ(k)

photoelectron wavevector k
• χ(k) kn to make small oscillations visible
– typically use k2 or k3

Pd K-edge
of Pd metal
χ(k) k2

photoelectron wavevector k
 Fitting of EXAFS data
interference ≈ N sin(2kR)

• analyse interference using EXAFS formula

f (k , R j ) sin (2kR j + 2δ ( k ) + ψ (k , R j )) exp(− Aj k 2 ) exp(− 2 R j / λ (k ))

Nj
χ (k ) = S02 ∑
j kR 2j
• each "shell" of neighbouring atoms contributes to the spectra
– number of neighbour atoms N
– distance to neighbour atoms R
– Debye Waller factor A (disorder in R)
e.g. R1, N1, A1 for first neighbours,
R2, N2, A2 for second neighbours
• "goodness of fit" criteria window function
∑ sample
χ (k )k 3
− χ (k )k 3

R fit = i × 100%
fit

∑i χ sample (k )k 3

Pd K-edge of Pd metal
1 shell fit, Rfit=38%

photoelectron wavevector k
Fourier
Transform
• Fourier Transform
– use "window" function due to
finite range of kmin < k < kmax

Pd K-edge of Pd metal
1 shell fit
N=12.4, R=2.74Å

distance R
• continue fitting
shells of neighbours
to improve fit
Pd K-edge of Pd metal
2 shell fit, Rfit=29%

photoelectron wavevector k
Fourier
Transform

distance R
 L3-edge EXAFS
• X-ray absorption edges are labelled after core electrons
K: 1s1/2 L1: 2s1/2 L2: 2p1/2 L3: 2p3/2 (nj notation)
• for heavy elements use L3 edge, e.g. Z>57 (La)
100

X-ray absorption edge energy (keV)

L1-edge
L2-edge

40 keV
L3-edge

K-edge
10 L3-edge
4 keV

L3 is limited to kmax=11Å-1
due to overlap with L2 and L1 1
50 60 70 80
atomic number (Z)
EXAFS: Examples
 Fe-Co alloy nanocrystals

Fe K-edge Co K-edge

Fe Co

k3χ(k)
k3χ(k)

BCC (a=2.87Å) FCC (a=3.51Å)

N R(Å) N R(Å)
8 2.49 12 2.48
6 2.87 6 3.51
12 4.06 24 4.26

k(Å-1) k(Å-1)
samples ?
 Fe K-edge Co K-edge
FT

FT
Fe Co
BCC (a=2.87Å) FCC (a=3.51Å)
N R(Å) N R(Å)
8 2.49 12 2.48
6 2.87 6 3.51
12 4.06 24 4.26

R(Å) samples = BCC R(Å)

samples ≠ FCC
 CoFe2O4 Nanocrystals
c a
CoFe2O4 is a partially inverted spinel
normal spinel: A2+[Tet](B3+2)[Oct]O4
inverse spinel: B3+[Tet](A2+B3+)[Oct]O4
z x
y

degree of inversion x:
(Co1-xFex)[Tet][CoxFe2-x][Oct]O4
b

distance [Tet]
site [Oct] site
M[Tet]-O 4xO -
M[Oct]-O - 6xO
M[Oct]-M[Oct] - 6xM[Oct]
M[Tet]-M[Oct] 12xM[Oct] 6xM[Tet]
M[Tet]-O 12xO -
 Co K-edge
15 (A)
20 (B)
(b)

EXAFS results

FT
0
k3kχ(k)

10wt% 900 C
χ(k)

FT
(b)
(a)
3

0
degree of inversion x=0.69
0
(a)

0 metal cation Co2+/Fe3+

4 6
k(Å-1)
8 10 12 1 2
r(Å)
3 4 5 occupancy
k(Å-1) R(Å) [Tet] site 31%/35%
Fe K-edge [Oct] site 69%/65%
20
(D)
20

distances R (Å)
(b)
M[Tet]-O 1.89/1.84
kk3χ(k)

0
M[Oct]-O 2.06/1.98
FT
χ(k)

(b)
3

(a) 0
M[Oct]-M[Oct] 2.96
0
(a) M[Tet]-M[Oct] 3.48
0
M[Tet]-O 3.50
1 2 3 4 5
4 6 k(Å-1) 8 10 12
r(Å)
k(Å-1) R(Å)
Nanocrystalline TiO2 materials for Li ion battery applications
studied by Ti K-edge EXAFS in situ

U. Lafont, E. Kelder, D. Carta, G. Mountjoy, et al

 Nanocrystalline TiO2
– nanocrystalline TiO2 used in Li ion battery materials
– during charging cycle TiO2 (Ti4+) → Li:TiO2 (Ti3+)
– Ti K-edge EXAFS was measured in situ
structural
changes
charging cycle
– EXAFS results show progression
– three different structures depending on Li content

Anatase TiO2 I41/amd Li0.5TiO2 Imma LiTiO2 I41/amd

15 % Li 40 % Li 100% Li

R(Å) N 2σ 2 R(Å) N 2σ2 R(Å) N 2σ2

O 1.93 6.0 0.010 O 1.93 3.0 0.010 O 2.01 6.0 0.017

Ti 3.03 4.0 0.015 O 2.01 3.0 0.026 Ti 3.13 4.0 0.032

O 3.82 8.0 0.010 Ti 3.12 4.0 0.025 O 3.80 8.0 0.032

Ti 3.82 4.0 0.025 O 3.50 4.0 0.036 Ti 4.14 4.0 0.030

Rfit =39% O 3.78 4.0 0.028 Rfit = 47%

Ti 3.94 4.0 0.017

R fit = 39
 5) XANES
X-ray Absorption Near Edge Structure (XANES)
or Near Edge X-ray Absorption Fine Structure (NEXAFS)
 XANES: Theory

• photo-electron excited to low energy state

– several eV below or above ionisation level
ionisation
photo-electron

-5.6 Ti K-edge
µt (arbitrary offset)

-6

-6.4
binding
X-ray energy E energy

-6.8
4800 5000 5200 5400
E (eV) core electron
 Peaks in XANES spectra
• 10s eV above the absorption edge multiple scatt. peak
– like EXAFS but very strong scattering (start of EXAFS)
• the absorption edge absorption edge peak:
– beginning of conduction band 1s→np continuum states
~ ionisation level 1.5

• a few eV below the absorption edge

– non- or anti-bonding states
1

1 + χ(E)
0.5

pre-edge peak: Zr K-edge

due to 1s→pd mixing at
non-centrosymmetric sites 0
17960 18000 18040
E(eV)
 Describing low energy states
• Molecular orbital approach → LUMO
(Lowest Unoccupied Molecular Orbital)
– around the excited atom
– obey the dipole selection rule, ∆= 1, e.g. s → p (for K edge)

• Band structure approach → conduction band

Note: also called "Electronic structure", valence band is full
– site-symmetry projected density of states

• Multiple scattering approach → resonant wavefunction

– photo-electron has very low kinetic energy
– strongly scattered by neighbouring atoms (can't use EXAFS equation)
• Carbon K-edge XANES
– Carbon K-edge is at 284eV

– transition is 1s->np
– XANES depends on
density of unoccupied p states
– see strong peak for π* states

– XANES is difficult to use

for light elements
 Effect of oxidation state on XANES
• higher oxidation state → higher energy of XANES
– higher (+) charge on the excited atom → electron states more tightly bound
• XANES is very good for measuring oxidation state
– typically +1 oxidation state → +3 eV energy

Mn K-edge
 L-edge XANES
• X-ray absorption edges are labelled after core electrons
K: 1s1/2 L1: 2s1/2 L2: 2p1/2 L3: 2p3/2 (nj notation)
• L1 edge
– involves s→p transitions, so is similar to K-edge XANES
• L2 and L3 edges
– involve p → d transitions
– transition metals show strong peaks due to empty d-states
• for heavy elements use L edge, e.g. Z>57 (La)
– but core-hole lifetime makes resolution worse than ~3 eV
 XANES: Experimental method
• near edge region
– scan X-ray energy from -25eV to +50eV above E0
• need good energy calibration
– to measure oxidation state and pre-edge peak
– use a metal foil as a reference
• need good energy resolution
– to measure pre-edge peak Ti K-edge
– typically 1 eV resolution
-5.6
• typical measurement time 15 mins

µt (arbitrary offset)
– faster (10 sec) for a good sample and beamline -6

-6.4

-6.8
4800 5000 5200 5400
E (eV)
 XANES: Data analysis
µtsample − µt post −edge
• only fit background to pre-edge χ (E ) =
and post-edge regions µt post −edge − µt pre−edge

• spectra is function of E and has no kn weighting

– spectra can be shown as function of E or E-E0
– where E0 = absorption edge energy of the metal
1.5
post-edge fit
2
pre-edge fit

normalised absorption
absorption µt

1
1

0 0.5
Ti K-edge Ti K-edge
µt(E) 1+χ(E)
-1 0
4700 4900 5100 5300 5500 -20 0 20 40 60 80 100 120
E (eV) E-E0 (eV)
 Interpreting XANES spectra
• The pre-edge peak
– a well-defined peak before the absorption edge
– due to known molecular orbitals with p-type symmetry
– can provide semi-quantitative comparison

• The "Fingerprint" approach

– qualitative comparison with XANES spectra of reference samples
– sample and reference are the same → XANES spectra are the same

• Comparison with simulated XANES spectra

– simulations using Band Structure or Multiple Scattering calculations
– quantitative comparison with sample spectra
 XANES: Examples
• Ti oxidation state absorption edge position
– nanocrystalline TiO2 used in Li ion battery materials
– during charging cycle TiO2 (Ti4+) → Li:TiO2 (Ti3+)
– Ti K-edge XANES was measured in situ
1.5 14.0
0%
5%
10%
normalised absorbance

13.0
15%

edge position (eV)

1
40%
70%
12.0
100%
100%
0.5
11.0

0 10.0
-5 0 5 10 15 20 25 30 35 40 45 0 20 40 60 80 100
E-E0 (eV)
% charge/discharge
 Ti K-edge pre-edge peak
Ti-O coordination
1.5
anatase
[4]Ti ZrTiO4
4
[5]Ti Na2SiTiO5
1/4 Ba2TiO4
1.0

pre-edge peak

absorbance
least
centrosymmetric 0.5

[6]Ti
4/2 6 0.0
-10 0 10 20 30
E(eV)

Note: E is set to zero at 4966eV

most
centrosymmetric
 Ti pre-edge peak in TiO2-SiO2 xerogels
[Greegor et al, J. Non-Cryst.
1 Solids 55, 27 (1983)]
[Farges et al, Geoch. et Cosmoch.
[4]Ti
Acta 60, 3023 (1996)]
[5]Ti
relative peak height

TiO2-SiO2 glass
reference
reference
TiO2-SiO2 xerogel
[6]Ti TiO2-SiO2 xerogel

[Chem. Phys. Lett. 304, 150 (1999)]

0
3.5 4.5 5.5
relative peak position (eV)
 Zr K-edge XANES
reference compounds (ZrO2)x(SiO2)1-x xerogels
3 3
ZrSiO4
tetrag. ZrO2 750°C
cubic ZrO2
mono. ZrO2 2 2
Zr(OH)4

1+χ(E)
1+χ(E)

RT
zirconolite
BaZrO3
Zr propox. 1 1
x=0.1
[Farges et al, Am. x=0.2
Mineral. 70, 838 (1994)] x=0.3
x=0.4
0 0
-20 0 20 40 -20 0 20 40
E (eV) E(eV)
 CoFe2O4 Nanocrystals
• precursor phases studied by XANES
• Fe K-edge
• 10wt% 450 C is like FeOOH
• 5wt% 450 C is like Fe[Tet] silicate
• Co K-edge
• 10wt% 450 C is like Co(OH)2
• 5wt% 450 C is like Co[Oct] silicate

10wt% 450°C ferrihydrite 10wt% 450°C Co Silicate

5wt% 450°C Fe:MCM 5wt% 450°C

2 2.0

1.5 1.5

1 1.0

0.5 0.5

0 0.0
0 10 20 30 40 50 0 10 20 30 40 50
E(eV) E(eV)
• identifying Fe and S compounds using the Fingerprint method
Magnus Sandström,1 Farideh Jalilehvand,2 Emiliana Damian,1 Yvonne Fors,1 Ulrik

Gelius,3 Mark Jones,4 and Murielle Salomé5

 6) Conclusions
• X-ray absorption spectroscopy
– can be routinely performed at Synchrotrons
– is an element-specific technique
• EXAFS
– photo-electron is scattered by the neighbouring atoms
– Fourier Transform analysis gives structural parameters R, N and A
• XANES
– photo-electron goes to states near ionisation energy
– analysis gives oxidation state, site-symmetry, and compound identification
• detailed structural information which is difficult to obtain
from other techniques
 Acknowledgements
• collaborators:
– A. Corrias, D. Carta, M.F. Casula, D. Loche, G. Navarra, U. Lafont,
E. Kelder, R.J. Newport, D.M. Pickup
• synchrotrons:
– L. Olivi (Elettra), S. Fiddy, F. Mosslemanns, L. Murphy (SRS)
• funding organisations:
– Marie Curie Fellowship (EU), Royal Society Fellowship (UK), EPRSC (UK)