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1 Chern semi-metal and QAHE in HgCr2Se4 Institute of Physics Chinese Academy of Science, Beijing Gang Xu, Hong-ming Weng, Xi Dai, and Zhong Fang
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Page 1: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

1

Chern semi-metal and QAHE in

HgCr2Se4

Institute of Physics

Chinese Academy of Science, Beijing

Gang Xu, Hong-ming Weng,

Xi Dai, and Zhong Fang

Page 2: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

Outline

1. Introduction:

Chern insulators, Chern semi-metal

2. Spinels family:

FM: CuCr2Se4,CdCr2Se4, CdCr2S4, HgCr2Se4,

AF: ZnCr2O4, CdCr2O4, HgCr2O4.

3. Magnetic Monopoles, Fermi Arcs,

and Quantized AHE

Page 3: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

1. Introduction: Family of TIs?

2D 3D

T-broken T-invariant T-invariant

band

QHE QSHE Topological Kondo Insulator

QAHE Anderson

Mott ......

Edge StatesSurface States

Page 4: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

1. Introduction: QHE vs QSHE

QSHE in HgTe/CdTe

(S. C. Zhang, et.al, Science 2006;

L. Molenkamp, et.al, Science 2007 )

QHE

TKNN or Chern number

2D topological Insulators with TRS

Page 5: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

1. Introduction: Chern insulators?

1. The QSH state can be viewed as two copies of QAH states.2. We can destroy the TRS to keep only one of the two copies of QAH states.

Quantum Hall stateB

Ener

gy

k

Conduction band

Valence band

Quantum AnomalousHall state M

Ener

gy

k

Conduction band

Valence band

Quantum Spin Hall state

k

Conduction band

Valence bandEn

ergy

edge

Broken TRS: “Quantum Hall” without external field and Landau level.

1. F. D. M. Haldane, PRL (1988):

Honeycomb lattice with staggered field (bond current).

2. Others:

Onoda & Nagaosa (2004); localized and extended states

Yu, Dai & Fang (2010); Magnetic topological insulatos

A. MacDonald & Niu (2011); Graphene

Page 6: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

1. Introduction: From 2D to 3D?

2D Topological Insulators:

+

-

+

+

-

-Gap opening

due to SOC

+ +

+

-

--

3D: (1) Weak 3D TIs:

(2) Stong 3D TIs: Time Reversal Polarization

in real space!

4x4 in the bulk,

2x2 on the surface

(2D Weyl nodes)

Page 7: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

1. Introduction: From 2D to 3D without TRS?

2D Chern Insulators:

+

-

+

+

-

-Gap opening

due to SOC

+ +

+

-

--

3D: (1) Weak 3D Chern Insulators:

(2) Any analogy? Chern semi-metal:

Time Reversal Polarization in momentum space!

Page 8: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

1. Introduction: Chern Insulators and semi-metal?

Weak Chern Insulators:

Kz=0 Kz= π

Kz=0 Kz= π

Kz

Topological Phase Transition

Page 9: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

1. Introduction: Chern semi-metal?

Chern Insulator

Normal Insulator

Normal Insulator

Kz

σxy= C e2/h

2x2 Hamiltonian in Bulk (not 4x4):

zyx

yxz

fiff

ifffkfkH

)()( Weyl nodes at:

Berry’s connection:

Berry’s connection:

Page 10: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

1. Introduction: Chern semi-metal?

(2) Time-reversal polarization & Magnetic Monopoles in the K-space.

around (See, Z. Fang, Science (2003))

(3) Fermi arcs on the side surface.

Kz

σxy= C e2/h

(See, X. G. Wan & Savaraso, PRB (2011), on AF Pyrochlore iridates)

(4) QAHE in quantum well structure.

(1) It is topologically unavoidable. (not accidental)

Page 11: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

Z

XY

Γ

11

HgX sublattice is zinc-blende

Two HgX sublattice are connected by Inversion, like Diamond.

Space group Fd-3m (point group Oh).

Each Cr atom is octahedrally coordinated by 6 nearest Se atoms.

Crystal structure of HgCr2Se4

Crystal structure BZ

Page 12: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

HgCr2Se4

P. K. Baltzer, et.al, PRB (1966)

Page 13: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

HgCr2Se4

Metallic

N. I . Solin, et.al, PRB (2008)

AHE

N. I . Solin, et.al,

Phys. Solid State (1996)

Page 14: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

14

Electronic structure without SOC

DOS

Page 15: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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Electronic structure without SOC

Band

Page 16: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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Schematic diagram for the band-inversion

Page 17: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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Electronic structure with SOC

low energy band with SOC

Page 18: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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Weyl fermions and magnetic monopoles

linear, with a phase of 4π for the chiral spin texture. The two Weyl nodes form a single pair

of magnetic monopoles carrying gauge flux in k-space.

in the off-diagonal element, it is easy to check thatkDue to the presence of

Chern number C equals to 2 for the planes withc

zz

c

z kkk and 0zk

The in-plane band dispersions near the Weyl nodesc

zz kk are thus quadratic rather than

Page 19: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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8-band model for HgCr2Se4

Basis

Here,

Page 20: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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8-band model for HgCr2Se4

Kane model without magnetic splitting

Page 21: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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8-band model for HgCr2Se4

where hs and hp are exchange splitting energies for the electron and valence bands

respectively. By fitting from our first-principles calculations, all parameters are given as:

E0 = 0.174 eV,Δ = 0.352 eV, hs = 0.666 eV, hp = 0.040 eV, R = , ,

eV592.2 2

2

569.2 eVm p

22

049.14 eVms

Magnetic splitting term along (001) direction

Page 22: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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8-band model for HgCr2Se4

Data comparing

Page 23: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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8-band model for HgCr2Se4

Two basis: |3/2, 3/2> , |S, -1/2> with band-inversion

two gapless solutions:)()(E22222

yxz kkkDMk

/0Mkkc

zz

/0

22Mkk yx

2-band effective model

Page 24: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

Edge state in kz=0.06π plane

Band of bulk Edge state Distribution along x

ADC B

Edge states and fermi arcs on surface

Page 25: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

Edge states and fermi arcs on surface

Band of bulk Edge state

Edge state in kz=0.29π plane

Page 26: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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Edge states and fermi arcs on surface

Fermi arcs for the (ky, kz) side surface

Page 27: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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QAHE in the quantum well structure

If we consider the open boundary condition along z direction, and replace kz by

,we can evaluate the Hall conductance in the quantum well structure.zi

Energy gap at Γ vs. d Hall conductance vs. d

Page 28: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

28

Conclusions

1. HgCr2Se4 is a topological Chern semi-metal with a single pair of

magnetic monopoles in the bulk.

2. Its Chern number shows kz dependence from 2 to 0.

3. There are two fermi arcs located on each surface side, which are

protected by topology.

4. In its quantum well structure, one can find the long-pursuing

quantized anomalous Hall effect (QAHE), i.e., the quantized Hall

effect without external magnetic field.

arXiv: 1106.3125 (2011)

Page 29: Chern semi-metal and QAHE in HgCr2Se4 - ICQM PKUicqm.pku.edu.cn/Events/Conference/2011/ConferenceWHP/upload/201… · 28 Conclusions 1. HgCr2Se4 is a topological Chern semi-metal

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Thank you!


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