Topological

insulators

Binghai Yan
Max Planck Institute for Chemical Physics of Solids, Dresden

1
 Outlines
Topological insulator (TI)
•  Where did TI come from?
•  What is topology?
•  What is a TI?
•  Who are TIs?
Graphene, HgTe, Bi2Se3, Heuslers
•  What is the recent progress?
•  Topological mirror insulator

2
Travel of electrons in the device

Joule's heat: Q=I2 R t

R: resistance

3
Human society

Information highway ?

4
 Separate the electron mo=on

Electron high way

by high B at low T

K. von Klitzing
1985 Nobel Prize in Physics

Avoid backscattering
Quantum Hall Effect 5
 Quantum Spin Hall effect (2D TI)

GaAs Predicted for HgTe in 2006

by Bernevig, Huges and Zhang.
X.-L. Qi and S.-C. Zhang, Physics Today 63, 33 (2010). 6
 Band inversion
Normal insulator Topological insulator

k-space

-X Γ X -X Γ X

Understand the topology 7

From QHE to QSHE
Time reversal symmetry (TRS)

Kane & Mele,

2005, Z2 invariant

8
 Surface states due to band inversion
Understand the topology

Think the bulk!

Band inversion Topological states

inside the bulk on the boundary
 Different from trivial surface states

conduction conduction conduction conduction

valence valence valence valence

Only in a small energy region, they do look quite similar. 10

Robustness of topological states

Normal surface states Topological surface states

 Topological Insulators

•  Metallic edge or
surface states
•  Spin-momentum
locking

¼ grahene

TI is an insulator but conducts. 12

 Materials for TIs

For a review on materials,

BY and S.-C. Zhang, Rep. Prog. Phys. 75, 096501 (2012).
Interes=ng Physics and applica=ons
²  Spin-momentum locked, pure spin current. Spintronics application.
²  Majorana particles. Quantum computation.
²  Topological magnetoelectric effects
²  Thermoelectric devices
²  Transparent conducting layer

14
 red sublattice poten-
n the presence of the flux quantum down the cylinder (slower than !so =@). The
ed to simple insulat- resulting azimuthal Faraday electric field induces a spin
he two sublattices are Graphene
current such that spin @ is transported from one end of the
cylinder to the other. Since an adiabatic change in the
eter "z #z sz produces
K 0 points. This has no magnetic field cannot excite a particle across the energy
ect smoothly between gap !so it follows that there must be gapless states at each
#z sz one must pass end to accommodate the extra spin.
vanishes, separating An explicit description of the edge states requires a
l orders. model that gives the energy bands throughout the entire
a model introduced Brillouin zone. Following Haldane [11], we introduce a
he parity anomaly in second neighbor tight binding model,
theory. Taken sepa- X y X
'1 spins violate time H ! tci& cj& ( it2 (ij sz&' cyi& cj' : (6)
hiji& hhijii&'
to Haldane’s model
realized by introduc- The first term is the usual nearest neighbor hopping term.
net flux. As Haldane The second term connects second neighbors with a spin
, which has opposite dependent amplitude. (ij ! &(ji ! '1, depending on the
peratures well below
orientation of the two nearest neighbor bonds d1 and d2 the
ed Hall conductance
electron traverses in going from site j to i. (ij ! (1 ( & 1)
ce computed by the
if the electron makes a left (right) turn to get to the second
15
he topological Chern
 Graphene

π*
π
a2

k2
π* “+” k1
π
a1

M
Γ Γ
K K “-”

Anti-bonding state “+” parity

Bonding state “-” parity

16
 Graphene

π*
π
a2

k2
π* “+” k1
π
a1
Γ x Γ
M
Γ Γ
K K “-”

x
Γ Γ
17
 Graphene
Shockley edge states (spinless)

18
 Graphene

π*
π

π* “+”
π

M
Γ Γ
K K “-”

Polyacetylene
(Su, Schrieffer, and Heeger, 1979, 1980) model,
19
Quantum Spin Hall Effect in Graphene

Kane, Mele PRL 95, 226801 (2005)

20
 The bulk band structure of TIs
Z2 topological invariant
Band theory [Fu, Kane & Mele (2007), Moore & Balents (2007), Roy (2007)]

=±1

1: topological insulator
2D 3D (ν0 ; v1v2v3) ν0 = 0: regular insulator

Inversion symmetry: δi is the parity product of all valence Bloch states.

Atomic insulator Normal insulator TI
Time reversal Parity of valence bands
invariant k-point Ki Normal TI
p
Ki = - Ki + n K0 1Γ + −
+
Γ (0 0 0) − 3X + +
+
X (½ 0 0 ) s − 3M + +
M (½ ½ 0) 1R + +

R (½ ½ ½) ν0 0 1

R Γ X M R Γ X M
R Γ X M
 A note about the Parity
Anti-bonding state “-” “+”
p orbital

Bonding state “+” “-”

s orbital + -
Anti-bonding state “-”
Bonding state “+”

The parity of the Bloch wave function in a lattice is NOT equivalent to

the parity of the local orbital,
when the inversion center does not locate at the atom center.
22
 Characterize TIs
Z2 topological invariant
Band theory [Fu, Kane & Mele (2007), Moore & Balents (2007), Roy (2007)]

=±1

1: topological insulator
3D (ν ; v1v2v3)
ν= 0: regular insulator
2D
- +
Inversion symmetry: δi is the parity product of all valence Bloch states.
+ +
Field theory [Qi, Zhang, et. al. (2008, 2009), Wilczek, (1987,2009)]

+
θ π: topological insulator
θ= 0: regular insulator

Wang & Zhang (2012) Simplified Topological Invariants, G(w=0,k) 23

 Characterize TIs
Z2 topological invariant
Band theory [Fu, Kane & Mele (2007), Moore & Balents (2007), Roy (2007)]

=±1

1: topological insulator
3D (ν ; v1v2v3)
ν= 0: regular insulator
2D
- +
Inversion symmetry: δi is the parity product of all valence Bloch states.
+ +
+ + + +
Z ν3 +
+ - +
+ + ν2 ν1
+ + + Topological
+
- - + Crystalline/Valley Insulators.
+ + Γ - Γ Fu, PRL 106, 106802 (2011).
Γ Slager et al. arXiv:1209.2610 (2012)
ν=1 (0;001) (1;000)
2D TI Weak 3D TI Strong 3D TI
 TI materials
HgTe QWs (2D TIs) Bi2Te3, Bi2Se3 and Sb2Te3 (3D TIs)
Band inversion No inversion

- Cd-s
- Bi-pz
+
+ - Se-pz
+ Te-p
Te-p
- Hg-s +

Zhang group, Science 314, 1757 (2006); Zhang et al. Nature Phys. 5, 438 (2009).
Molenkamp group, Science 318, 766 (2007). Xia et al. Nature Phys. 5, 398 (2009).
Chen et al. Science 325, 178 (2009).
 HgTe QWs
Band inversion
Cd
Hg s
- Cd-s pxyz px±ipy; pz
s

Te j = 3/2 px±ipy; pz
Hg-s Hg-s j = 3/2
pxyz
+ Te-p j = 1/2
Te j = 1/2
Te-p px±ipy px±ipy
- Hg-s + s s
s s
Crystal field SOC Crystal field SOC

B. A. Bernevig, T. L. Hughes, S.-C. Zhang, Science 314, 1757 (2006). 26

 HgTe QWs
Hg-s
Te-p

Te-p Hg-s

d < dc=6.3 nm d > dc=6.3 nm

B. A. Bernevig, T. L. Hughes, S.-C. Zhang, Science 314, 1757 (2006). 27

 HgTe QWs
Transport measurements of the edge state conductance.

M. König et al. Science 318, 766 (2007) 28

 Strained HgTe, 3D TI

px±ipy
pz
X. Dai et al. Phys. Rev. B 77, 125319 (2008). s
S.C. Wu et al. EPL, 107 (2014) 57006.

Brüne et al. PRL106, 126803 (2011). 29

Bi2Se3, Bi2Te3 and Sb2Te3

Layered semiconductor with strong SOC.

Zhang et al. Nature Physics 5(6) 438 (2009). 30

 Bi2Se3, Bi2Te3 and Sb2Te3

With SOC
Z2= (1;000)

SOC

Zhang et al. Nature Physics 5(6) 438 (2009). 31

 Bi2Se3, Bi2Te3 and Sb2Te3
Sb2Se3 Sb2Te3

Bi2Se3 Bi2Te3

Zhang et al. Nature Physics 5(6) 438 (2009). 32

 Bi2Se3, Bi2Te3 and Sb2Te3
ARPES experiments

Bi2Se3 Bi2Te3

Problem:
Bi2Se3, n-type, Se vacacny
Bi2Te3, n-type, Bi-Te an=site defect
Sb2Te3, p-type, Sb vacancy

Xia et al. 2009 Nature Physics 5(6) 398. Chen et al. 2009 Science 325(5937) 178.
Hsieh et al. 2009 PRL 103(14) 146401. Hsieh et al. 2009 Nature 460(7259) 1101. 33
 Find new TI materials

Strong SOC , λso is proportional to Z4.

34
 Thermoelectric materials

Snyder & Toberer

Nature Mater.
7,105 (2008).

Heavy elements(κ,S) Strong SOC

ZT=TS2σ/κ TI
Smaller gap (σ) Band inversion

35
 HgTe varia=on: Heulser compounds

YZ: zincblend lattice

X: stuffed atom

8 or 18 valence electrons.

KAuTe 1+11+6
I Ib VI
I
HgTe IIb VI IIb
2+6
V

III VIII V KHgSb

LaPtBi 3+10+5 1+2+5

S. Chadov et al. Nature Mater. 9, 541 (2010). H. Lin et al. ibid 9, 546(2010).
 Materials engineering

CeOs4Sb12

Topological Insulators from a Chemists Perspective

Angew. Chem. Int. Ed. (2012) 51, 7221. 37
 Materials engineering
Bi2Te3 Bi2Te2Se

(PbTe)-Bi2Te3
(PbTe)2-Bi2Te3

LaBiTe3 TlBiTe2

[(PbTe)-Bi2Te3)] – Bi2Te3 38
 Bi2Se3 type: TlBiSe2 and TlBiTe2

TlBiSe2 TlBiTe2

Yan et al. EPL 90, 37002 (2010), 39

Lin et al. PRL105(3) 036404 (2010), Eremeev et al. JETP Lett. 91(11) 594 (2010).
 Bi2Se3 type: TlBiSe2 and TlBiTe2

TlBiTe2 :Topological superconductor.

CuxBi2Se3, PdxBi2Te3
Sato et al. PRL 105(13) 136802 (2010),
Kuroda et al. ibid, 105(14) 146801 (2010),
Chen et al. ibid, 105(26) 266401 (2010), 40
Xu et al. arXiv:1008.3557 (2010).
 Search for a weak 3D TI

+ + + +
Z ν3 +
+ - +
+ + + + ν2 ν1
+
+
+ - + - +
Γ - Γ
Γ
ν=1 (1;000)
2D TI (0;001)
Weak 3D TI Strong 3D TI

41
 Generaliza=on of Heusler compounds

ZB
Wurzite lattice
lattice
Stacking 2D TI layers

Structure of SrPtAs-type
unconventional SC
Biswas et al., PRB 87, 180503(R) (2013);
Fisher et al. PRB 89, 020509 (2014)

Following Heusler’s idea to design a weak TI

 3D weak TIs
Cubic Heusler XYZ Layered Honeycomb XYZ

KHgSb HgSb

The weak TI has a “strong” side.

Z. Ringel, Y. Kraus, and A. Stern, Phys. Rev. B 86, 045102 (2012).
R. S. K. Mong, J. H. Bardarson, and J. E. Moore, Phys. Rev. Lett. 108, 076804 (2012).
 Bulk band structure
HgSb
K

K-s j=3/2 SOC j=3/2

Hg-s pxy
EF
Sb-sp j=1/2 j=1/2
s
pz

s
Crystal field SOC Eg = λsoc , reaching fundamental limit
 The first 3D weak TIs

side surface

•  The first weak TI material, KHgSb KHgSb

•  Surface state with two Dirac cones (synthesized in 1980)
•  Eg ~ 0.2 eV >> RT

BY, Mulechler, Felser. PRL 109, 116406 (2012).

 3D weak TIs
Bernevig-Hughes-Zhang model, minimal Hamiltonian
Band inversion

E M(k) = M0 – B k//2 - G kz2

E

Turning on inter-layer coupling

XYZ

kz
BY, Mulechler, Felser. PRL 109 (2012) 116406.
Extract a QSH layer from the layered
weak TI

X-Y-Z IV-IV IV2-X2

8 or 18 electrons 8 electrons
 QSH layer
− + + − SnF (QSH) SnH (trivial)
Sn1 Sn2
Bonding state
pxy-band with parity “+” p s
2D bulk
+ − p
s
Anti-bonding state
s-band with parity “−”

Edge

Band inversion at the Γ point, different from graphene.

Y. Xu, BY, H.-J. Zhang, J. Wang, G. Xu, P. Tang, W. Duan, and S.-C. Zhang, PRL 111, 136804(2013).
 QSH layer with large energy gap
Stanene: SnI 0.4 eV
Germanene: GeI 0.3 eV

Recent MBE growth

Zhu et al.
arXiv:1506.01601 (2015)
Gold surface

50
Gold surface

51
 Gold surface

B. Yan et al. Nature Communications 6, 10167 (2015).

52
 Topological mirror insulator

Fu 2012’

53
 Materials design for TIs

3D strong TI 3D weak TI 2D TI (QSH) QAH

PRL 113, 256401 (2014).

BaBiO3
Nature Physics 9, 709 (2013).
 Topological insulators and topological metals
3D bulk 2D Surface

Topological insulator
Time reversal
symmetry (TRS)x

Weyl Semimetal
Non spin degenerate
TRS and/or IS breaking
Band inversion

3D analoge of Fermi arcs

graphene
 Summary
3D bulk 2D Surface

Topological insulators
•  Topological surface states, Dirac cone
•  2D TI, 3D strong and weak TIs
Topological metals (3D graphene)
•  Topological surface states, Fermi arcs
•  Chiral anomaly, MR, high mobility Band inversion

3D analoge of Fermi arcs

graphene

Thanks for your a3en4on!

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