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はじめに

• 講義資料:大槻東巳のホームページ,講義資料からダウ

ンロードする

• 今日の授業と資料を基に1月29日までにA4用紙1枚でレ

ポートを作成。課題は

トポロジカル絶縁体とは何か?

• 提出先:4-389A

(2)

トポロジカル絶縁体入門

物理学序論

上智大学物理領域

大槻東巳

(3)

2016年のノーベル物理学賞

サウレス

ハルデイン

コスタリッツ

½ ¼ ¼

(4)

トポロジー

https://www.nobelprize.org/nobel_prizes/physics/laureates/2016/fig_fy_en_

16_topology.pdf

(5)

アウトライン

• トポロジカル絶縁体(topological insulator, TI)とは何か?

• 昔から知られていたトポロジカル絶縁体 : 量子ホール効果

(QHE)における量子ホール絶縁体quantum Hall insulator (QHI)

• 量子ホール絶縁体以外のトポロジカル絶縁体の予言と発見 à

2次元量子スピンホール系 (quantum spin Hall systems

(QSHE)(HgTe))と3次元 TI (Bi

2

Se

3

)

• CdTe/HgTe/CdTe量子井戸における量子スピンホール効果

• GaN/InN/GaN量子井戸の可能性

References :

1) 東北大学金属材料研 野村健太郎准教授による講義ノート

http://www-lab.imr.tohoku.ac.jp/~nomura/note.html

2) Review: M. Hasan, C. Kane: Rev. Mod. Phys. 82 (2010) 3045

3) Review: X.-L. Qi, S.-C. Zhang: Rev. Mod. Phys. 83 (2011) 1057

4) Miao et al., Topological Insulator Transition in a GaN/InN/GaN Quantum Well,

PRL 109, 186803 (2012)

5) Photonic topological insulator 1: Haldane, Raghu: PRL 100, 013904 (2008)

6) Photonic topological insulator 2: Khanikaev et al.: Nature materials, 12

(6)

1. トポロジカル絶縁体とは ?

バンドギャップ絶縁体でギャップ内に端

/

面状態をもつもの。

ただの表面状態でなく,トポロジカルな要因

で保護されているため,ランダムネス,電子

間相互作用,電子格子相互作用の影響を受け

ない。

電流やスピンの方向が特徴的

(7)

2. 昔から知られていたトポロジカル絶

縁体,

QHI in QHE

@>)#$>= A)** %--%($

4*"$'"#+B C,12) )#2 D%??%1 EFGHI

2

1

1, 2,3,

j

h

R

j

j e

@>)#$>= A)** %--%($

4*"$'"#+B C,12) )#2 D%??%1 EFGHI

2

1

1, 2,3,

j

h

R

j

j e

σ

yx

=

e

2

h

j ,

σ

xx

= 0

絶縁体

異なるタイプの絶縁相

(8)

量子ホール効果をトポロ

ジカル数で解釈する

• 久保公式

周期ポテンシャルの場合,ブロッホ関数が固有関数。

ストークスの定理

TOPOLOGY OF HALL CONDUCTANCE

349

tity remains invariant under this transformation.

From Eq. (3.8) the corresponding

transformation of ji(k,, k2) is given by

A’@, , kd = &k,, kz) + zV,f(k,, k,).

(3.11)

It is easy to see from Eqs. (3.9) and (3.11) that og is invariant under the transfor-

mation (3.10).

The non-trivial topology arises when the phase of the wavefunction cannot be

determined uniquely and smoothly in the entire magnetic Brillouin zone. The

transformation

(3.10) implies that the overall phase factor for each state vector

1 uklk2) can be chosen arbitrary. This phase can be determined, for example, by

demanding that a component of the state vector u~,,Jx(~), y”‘) = (x(O), ~“‘1 uklk2) is

real. However, this convention is not enough to fix the phase on the entire magnetic

Brillouin zone, since z.Q&x’~), y(O)) vanishes for some (k,, k2). The existence of

zeros of z+,,Jx, y) has been shown in Section II. For the sake of simplicity, consider

the case where u,,,,(x(~), y(O)) vanishes only at one point (k\“, kh”) in the magnetic

Brillouin zone. See Fig. 1. Divide T2 into two pieces HI and H,, such that H, con-

tains (k!O), k$O)). We adopt a different convention in H, so that another component

of the state vector z.++(x’~), y”)) = (x’~‘, y”‘] u~,~,) is real, where (x(l), y(l)) and H,

are chosen such that LQ,,~~(x(‘), y’“) does not vanish in H,. Thus the overall phase

is uniquely determined on the entrie T*. In Fig. 1, a phase of one component of the

state vector u~,~~(x”‘, y(O)) = (.~~O’y(‘)l uklk2) is schematically drawn.

IT rtt

T

0

kl - 27T qa

FIG. 1. Schematic diagram of a phase of a wavefunction in the magnetic Brillouin zone. The Brillouin zone is actually a torus, so the edges (k,, kZ) = (0, k2) and (2z/qa, k,); and also the edges (k, . 0) and (k, , 2x/b) must be identified.

Thouless et al. PRL 1982

(9)

量子ホール効果から得ら

れた教訓

• バルクの波動関数が非自明な位相構造を持つ à この位相構

造をトポロジカル数で定義

à 量子ホールコンダクタンスは

e

2

/h x トポロジカル数となり厳密に量子化

• トポロジカル数は整数のみを取るので,ある程度の摂動を受

けてもコンダクタンスは変化しない

à

10

-9

の精度で量子化

• この議論の弱点:トポロジカル数はブロッホ関数で定義され

ているが,量子ホール効果は乱れた

2次元電子系で観測され

ている

(10)

バルク

vs. エッジ描像

• バルクのトポロジカル数が

nの場合,

n本のエッジ状態

がサンプルの端に現れる。

• àバルクの波動関数のトポロジーをトポロジカル数

(Chern number)で定義する代わりに,実験的には試料

のエッジ状態を調べればよい

http://physics.aps.org/articles/v2/15

(11)

エッジ描像の利点

• エッジ電流は電流測定に直接きいてくる

• ランダムネスがあっても定義できる

• エッジ状態がランダムネス・相互作用に対して安定かど

うかはある程度直感的に分かる

(12)

3. 量子ホール絶縁体以外の

トポロジカル絶縁体に向けて

• 量子ホール効果の発見1980年,分数量子ホール効果が

1982年,それぞれにノーベル賞が授与され済み

2000年代前半 à スピントロニクスの研究の発展

o 電流ではなく,スピンを流したい。しかも磁石や磁場を使わず

2次元系でスピンを流す:時間反転対称性のある量子

ホール効果

à 量子

スピン

ホール効果(

QSHE)

2010年前後:3次元のトポロジカル絶縁体

• いずれもスピン軌道相互作用がキー

(13)

実際の物質

o 2D HgTe QSHE 後で詳しく述べる

o 3D

Bi

2

Se

3

(2009, Yu-Qi Xia, Zahid Hasan),

Bi

0.9

Sb

0.1

(2008, David Hsieh, Zahid Hasan)

Bi

2

Te

3

TlBiSe

2

H Zhang et al., Nature Physics, 2009

With randomness

ARPES

(14)

QSEに向けて:

HgTe と CdTeの比較

1D gapless edge states that lie inside the bulk insulating gap.

The edge states have a distinct helical property: Two states

with opposite spin polarization counterpropagate at a given

edge (

Kane and Mele, 2005a

;

Wu

et al., 2006

;

Xu and

Moore, 2006

). For this reason they are also called helical

edge states, i.e., the spin is correlated with the direction of

motion (

Wu et al., 2006

). The edge states come in Kramers

doublets, and TR symmetry ensures the crossing of their

energy levels at special points in the Brillouin zone (BZ).

Because of this level crossing, the spectrum of a QSH

insu-lator cannot be adiabatically deformed into that of a

topo-logically trivial insulator without helical edge states.

Therefore, in this sense, the QSH insulator represents a new

topologically distinct state of matter. In the special case that

SOC preserves a U

ð1Þ

s

subgroup of the full SU(2) spin

rotation group, the topological properties of the QSH state

can be characterized by the spin Chern number (

Sheng et al.,

2006

). More generally, the topological properties of the QSH

state are mathematically characterized by a

Z

2

topological

invariant (

Kane and Mele, 2005b

). States with an even

num-ber of Kramers pairs of edge states at a given edge are

topologically trivial, while those with an odd number are

topologically nontrivial. The

Z

2

topological quantum number

can also be defined for generally interacting systems and

experimentally measured in terms of the fractional charge

and quantized current on the edge (

Qi, Hughes, and Zhang,

2008a

), and spin-charge separation in the bulk (

Qi and Zhang,

2008

;

Ran et al., 2008

).

In this section, we focus on the basic theory of the QSH

state in the HgTe/CdTe system because of its simplicity and

experimental relevance and provide an explicit and

pedagog-ical discussion of the helpedagog-ical edge states and their transport

properties. There are several other theoretical proposals for

the QSH state, including bilayer bismuth (

Murakami, 2006

),

and the ‘‘broken-gap’’ type-II AlSb/InAs/GaSb quantum

wells (

Liu, Hughes et al., 2008

). Initial experiments in the

AlSb/InAs/GaSb system already show encouraging

signa-tures (

Knez et al., 2010

). The QSH system has also been

proposed for the transition metal oxide Na

2

IrO

3

(

Shitade

et al., 2009

). The concept of the fractional QSH state was

proposed at the same time as the QSH state (

Bernevig and

Zhang, 2006

) and has been recently investigated theoretically

in more detail (

Young et al., 2008

;

Levin and Stern, 2009

).

A. Effective model of the two-dimensional

time-reversal-invariant topological insulator

in HgTe/CdTe quantum wells

In this section we review the basic electronic structure of

bulk HgTe and CdTe and presented a simple model first

introduced by

Bernevig, Hughes, and Zhang (2006)

(BHZ)

to describe the physics of those subbands of HgTe/CdTe

quantum wells which are relevant for the QSH effect. HgTe

and CdTe crystallize in the zinc blende lattice structure. This

structure has the same geometry as the diamond lattice, i.e.,

two interpenetrating face-centered-cubic lattices shifted

along the body diagonal, but with a different atom on each

sublattice. The presence of two different atoms per lattice site

breaks inversion symmetry and thus reduces the point group

symmetry from O

h

(cubic) to T

d

(tetrahedral). However, even

though inversion symmetry is explicitly broken, this has only

a small effect on the physics of the QSH effect. To simplify

the discussion, we first ignore this bulk inversion asymmetry

(BIA).

For both HgTe and CdTe, the important bands near the

Fermi level are close to the ! point in the Brillouin zone

[Fig.

2(a)

]. They are a s-type band (!

6

), and a p-type band

split by SOC into a J

¼ 3=2 band (!

8

) and a J

¼ 1=2 band

(!

7

). CdTe has a band ordering similar to GaAs with a s-type

(!

6

) conduction band, and p-type valence bands (!

8

, !

7

)

which are separated from the conduction band by a large

energy gap (

$ 1:6 eV). Because of the large SOC present in

the heavy element Hg, the usual band ordering is inverted :

The negative energy gap of

%300 meV indicates that the !

8

band, which usually forms the valence band, is above the !

6

band. The light-hole !

8

band becomes the conduction band,

the heavy-hole band becomes the first valence band, and the

s-type band (!

6

) is pushed below the Fermi level to lie

between the heavy-hole band and the spin-orbit split-off

band (!

7

) [Fig.

2(a)

]. Because of the degeneracy between

heavy-hole and light-hole bands at the ! point, HgTe is a

zero-gap semiconductor.

When HgTe-based quantum well structures are grown, the

peculiar properties of the well material can be utilized to

tune the electronic structure. For wide QW layers, quantum

confinement is weak and the band structure remains inverted.

However, the confinement energy increases when the well

width is reduced. Thus, the energy levels will be shifted and,

eventually, the energy bands will be aligned in a ‘‘normal’’

way, if the QW thickness d

QW

falls below a critical thickness

d

c

. We can understand this heuristically as follows: for thin

QWs the heterostructure should behave similarly to CdTe

and have a normal band ordering, i.e., the bands with

primarily !

6

symmetry are the conduction subbands and

FIG. 2 (color).

(a) Bulk band structure of HgTe and CdTe;

(b) schematic picture of quantum well geometry and lowest

sub-bands for two different thicknesses. From

Bernevig et al., 2006

.

Xiao-Liang Qi and Shou-Cheng Zhang: Topological insulators and superconductors

1061

Rev. Mod. Phys., Vol. 83, No. 4, October–December 2011

s軌道

heavy hole

light hole

s軌道

(15)

Hamiltonian

s-orbital: Kramers doublet |s↑> and |s ↓>

p-orbital: |p

x

+ i p

y

↑>, |-(p

x

- i p

y

) ↓>

Near the Γ point: |s+>, |p

x

+ i p

y

↑>, |s->, |-(p

x

- i p

y

) ↓>

E(k)

=

ε

(k)

± (M − Bk

2

)

2

+ A

2

k

2

Science ‘06)

H(k), 2x2行列

(16)

sとpの間のエネルギーM

を変えると

M>0

M=0

M<0

s

p

s

p

(17)
(18)

エッジ状態はなぜ安定か?

(ランダムネス,相互作用などに対して)

(19)

バルクのトポロジカル数がゼロで

ないと表面・端状態が現れるわけ

真空ではトポロジカル数が

0

なので界面においてト

ポロジカル数が不連続になってしまう

トポロジカル数が

0

(真空)と有限の領域(

TI

)を

つなぐため,ギャップレスの表面状態が現れる必要

がある

a b a b

symmetry as an applied magnetic field would), in simplified models introduced in around 2003 it can lead to a quantum spin Hall effect, in which electrons with opposite spin angular momentum (commonly called spin up and spin down) move in opposite directions around the edge of the droplet in the absence of an external magnetic field2 (Fig. 2b).

These simplified models were the first steps towards understanding topological insulators. But it was unclear how realistic the models were: in real materials, there is mixing of spin-up and spin-down electrons, and there is no conserved spin current. It was also unclear whether the edge state of the droplet in Fig. 2b would survive the addition of even a few impurities.

In 2005, a key theoretical advance was made by Kane and Mele3.

They used more realistic models, without a conserved spin current, and showed how some of the physics of the quantum spin Hall effect can survive. They found a new type of topological invariant that could be computed for any 2D material and would allow the prediction of whether the material had a stable edge state. This allowed them to show that, despite the edge not being stable in many previous models, there are realistic 2D materials that would have a stable edge state in the absence of a magnetic field; the resultant 2D state was the first topological insulator to be understood. This non-magnetic insulator has edges that act like perfectly conducting one-dimensional electronic wires at low tempera-tures, similar to those in the quantum Hall effect.

Subsequently, Bernevig, Hughes and Zhang made a theoretical prediction that a 2D topological insulator with quantized charge con-ductance along the edges would be realized in (Hg,Cd)Te quantum wells4. The quantized charge conductance was indeed observed in this

system, as a quantum-Hall-like plateau in zero magnetic field, in 2007 (ref. 5). These experiments are similar to those on the quantum Hall effect in that they require, at least so far, low temperature and artificial 2D materials (quantum wells), but they differ in that no magnetic field is needed.

Going 3D

The next important theoretical development, in 2006, was the realization6–8 that even though the quantum Hall effect does not

general-ize to a genuinely 3D state, the topological insulator does, in a subtle way. Although a 3D ‘weak’ topological insulator can be formed by layering 2D versions, similar to layered quantum Hall states, the resultant state is not stable to disorder, and its physics is generally similar to that of the 2D state. In weak topological insulators, a dislocation (a line-like defect

in the crystal) will always contain a quantum wire like that at the edge of the quantum spin Hall effect (discussed earlier), which may allow 2D topological insulator physics to be observed in a 3D material9.

There is also, however, a ‘strong’ topological insulator, which has a more subtle relationship to the 2D case; the relationship is that in two dimensions it is possible to connect ordinary insulators and topologi-cal insulators smoothly by breaking time-reversal symmetry7. Such a

continuous interpolation can be used to build a 3D band structure that respects time-reversal symmetry, is not layered and is topologically non-trivial. It is this strong topological insulator that has protected metallic surfaces and has been the focus of experimental activity.

Spin–orbit coupling is again required and must mix all components of the spin. In other words, there is no way to obtain the 3D strong topologi-cal insulator from separate spin-up and spin-down electrons, unlike in the 2D case. Although this makes it difficult to picture the bulk physics of the 3D topological insulator (only the strong topological insulator will be discussed from this point), it is simple to picture its metallic surface6.

The unusual planar metal that forms at the surface of topological insulators ‘inherits’ topological properties from the bulk insulator. The simplest manifestation of this bulk–surface connection occurs at a smooth surface, where momentum along the surface remains well defined: each momentum along the surface has only a single spin state at the Fermi level, and the spin direction rotates as the momentum moves around the Fermi surface (Fig. 3). When disorder or impurities are added at the surface, there will be scattering between these surface states but, crucially, the topological properties of the bulk insulator do not allow the metallic surface state to vanish — it cannot become local-ized or gapped. These two theoretical predictions, about the electronic structure of the surface state and the robustness to disorder of its metallic behaviour, have led to a flood of experimental work on 3D topological insulators in the past two years.

Experimental realizations

The first topological insulator to be discovered was the alloy BixSb1−x,

the unusual surface bands of which were mapped in an angle-resolved photoemission spectroscopy (ARPES) experiment10,11. In ARPES

exper-iments, a high-energy photon is used to eject an electron from a crystal, and then the surface or bulk electronic structure is determined from an analysis of the momentum of the emitted electron. Although the surface structure of this alloy was found to be complex, this work launched a search for other topological insulators.

Figure 1 | Metallic states are born when a surface unties ‘knotted’ electron wavefunctions. a, An illustration of topological change and the resultant surface state. The trefoil knot (left) and the simple loop (right) represent different insulating materials: the knot is a topological insulator, and the loop is an ordinary insulator. Because there is no continuous deformation by which one can be converted into the other, there must be a surface where the string is cut, shown as a string with open ends (centre), to pass between the two knots; more formally, the topological invariants cannot remain

defined. If the topological invariants are always defined for an insulator, then the surface must be metallic. b, The simplest example of a knotted 3D electronic band structure (with two bands)35, known to mathematicians as the Hopf map. The full topological structure would also have linked fibres on each ring, in addition to the linking of rings shown here. The knotting in real topological insulators is more complex as these require a minimum of four electronic bands, but the surface structure that appears is relatively simple (Fig. 3).

195

NATURE|Vol 464|11 March 2010

PERSPECTIVE

 INSIGHT

194-198 Insight Moore NS.indd 195

194-198 Insight Moore NS.indd 195 3/3/10 11:30:563/3/10 11:30:56

© 20 Macmillan Pu blishers Limited. All rights reserved10

a b

a b

symmetry as an applied magnetic field would), in simplified models introduced in around 2003 it can lead to a quantum spin Hall effect, in which electrons with opposite spin angular momentum (commonly called spin up and spin down) move in opposite directions around the edge of the droplet in the absence of an external magnetic field2 (Fig. 2b).

These simplified models were the first steps towards understanding topological insulators. But it was unclear how realistic the models were: in real materials, there is mixing of spin-up and spin-down electrons, and there is no conserved spin current. It was also unclear whether the edge state of the droplet in Fig. 2b would survive the addition of even a few impurities.

In 2005, a key theoretical advance was made by Kane and Mele3.

They used more realistic models, without a conserved spin current, and showed how some of the physics of the quantum spin Hall effect can survive. They found a new type of topological invariant that could be computed for any 2D material and would allow the prediction of whether the material had a stable edge state. This allowed them to show that, despite the edge not being stable in many previous models, there are realistic 2D materials that would have a stable edge state in the absence of a magnetic field; the resultant 2D state was the first topological insulator to be understood. This non-magnetic insulator has edges that act like perfectly conducting one-dimensional electronic wires at low tempera-tures, similar to those in the quantum Hall effect.

Subsequently, Bernevig, Hughes and Zhang made a theoretical prediction that a 2D topological insulator with quantized charge con-ductance along the edges would be realized in (Hg,Cd)Te quantum wells4. The quantized charge conductance was indeed observed in this

system, as a quantum-Hall-like plateau in zero magnetic field, in 2007 (ref. 5). These experiments are similar to those on the quantum Hall effect in that they require, at least so far, low temperature and artificial 2D materials (quantum wells), but they differ in that no magnetic field is needed.

Going 3D

The next important theoretical development, in 2006, was the realization6–8 that even though the quantum Hall effect does not

general-ize to a genuinely 3D state, the topological insulator does, in a subtle way. Although a 3D ‘weak’ topological insulator can be formed by layering 2D versions, similar to layered quantum Hall states, the resultant state is not stable to disorder, and its physics is generally similar to that of the 2D state. In weak topological insulators, a dislocation (a line-like defect

in the crystal) will always contain a quantum wire like that at the edge of the quantum spin Hall effect (discussed earlier), which may allow 2D topological insulator physics to be observed in a 3D material9.

There is also, however, a ‘strong’ topological insulator, which has a more subtle relationship to the 2D case; the relationship is that in two dimensions it is possible to connect ordinary insulators and topologi-cal insulators smoothly by breaking time-reversal symmetry7. Such a

continuous interpolation can be used to build a 3D band structure that respects time-reversal symmetry, is not layered and is topologically non-trivial. It is this strong topological insulator that has protected metallic surfaces and has been the focus of experimental activity.

Spin–orbit coupling is again required and must mix all components of the spin. In other words, there is no way to obtain the 3D strong topologi-cal insulator from separate spin-up and spin-down electrons, unlike in the 2D case. Although this makes it difficult to picture the bulk physics of the 3D topological insulator (only the strong topological insulator will be discussed from this point), it is simple to picture its metallic surface6.

The unusual planar metal that forms at the surface of topological insulators ‘inherits’ topological properties from the bulk insulator. The simplest manifestation of this bulk–surface connection occurs at a smooth surface, where momentum along the surface remains well defined: each momentum along the surface has only a single spin state at the Fermi level, and the spin direction rotates as the momentum moves around the Fermi surface (Fig. 3). When disorder or impurities are added at the surface, there will be scattering between these surface states but, crucially, the topological properties of the bulk insulator do not allow the metallic surface state to vanish — it cannot become local-ized or gapped. These two theoretical predictions, about the electronic structure of the surface state and the robustness to disorder of its metallic behaviour, have led to a flood of experimental work on 3D topological insulators in the past two years.

Experimental realizations

The first topological insulator to be discovered was the alloy BixSb1−x,

the unusual surface bands of which were mapped in an angle-resolved photoemission spectroscopy (ARPES) experiment10,11. In ARPES

exper-iments, a high-energy photon is used to eject an electron from a crystal, and then the surface or bulk electronic structure is determined from an analysis of the momentum of the emitted electron. Although the surface structure of this alloy was found to be complex, this work launched a search for other topological insulators.

Figure 1 | Metallic states are born when a surface unties ‘knotted’ electron wavefunctions. a, An illustration of topological change and the resultant surface state. The trefoil knot (left) and the simple loop (right) represent different insulating materials: the knot is a topological insulator, and the loop is an ordinary insulator. Because there is no continuous deformation by which one can be converted into the other, there must be a surface where the string is cut, shown as a string with open ends (centre), to pass between the two knots; more formally, the topological invariants cannot remain

defined. If the topological invariants are always defined for an insulator, then the surface must be metallic. b, The simplest example of a knotted 3D electronic band structure (with two bands)35, known to mathematicians as the Hopf map. The full topological structure would also have linked fibres on each ring, in addition to the linking of rings shown here. The knotting in real topological insulators is more complex as these require a minimum of four electronic bands, but the surface structure that appears is relatively simple (Fig. 3).

195

NATURE|Vol 464|11 March 2010

PERSPECTIVE

 INSIGHT

194-198 Insight Moore NS.indd 195

194-198 Insight Moore NS.indd 195 3/3/10 11:30:563/3/10 11:30:56

© 20 Macmillan Pu blishers Limited. All rights reserved10

通常の絶縁体,

もしくは真空

aa bb

symmetry as an applied magnetic field would), in simplified models introduced in around 2003 it can lead to a quantum spin Hall effect, in which electrons with opposite spin angular momentum (commonly called spin up and spin down) move in opposite directions around the edge of the droplet in the absence of an external magnetic field2 (Fig. 2b).

These simplified models were the first steps towards understanding topological insulators. But it was unclear how realistic the models were: in real materials, there is mixing of spin-up and spin-down electrons, and there is no conserved spin current. It was also unclear whether the edge state of the droplet in Fig. 2b would survive the addition of even a few impurities.

In 2005, a key theoretical advance was made by Kane and Mele3.

They used more realistic models, without a conserved spin current, and showed how some of the physics of the quantum spin Hall effect can survive. They found a new type of topological invariant that could be computed for any 2D material and would allow the prediction of whether the material had a stable edge state. This allowed them to show that, despite the edge not being stable in many previous models, there are realistic 2D materials that would have a stable edge state in the absence of a magnetic field; the resultant 2D state was the first topological insulator to be understood. This non-magnetic insulator has edges that act like perfectly conducting one-dimensional electronic wires at low tempera-tures, similar to those in the quantum Hall effect.

Subsequently, Bernevig, Hughes and Zhang made a theoretical prediction that a 2D topological insulator with quantized charge con-ductance along the edges would be realized in (Hg,Cd)Te quantum wells4. The quantized charge conductance was indeed observed in this

system, as a quantum-Hall-like plateau in zero magnetic field, in 2007 (ref. 5). These experiments are similar to those on the quantum Hall effect in that they require, at least so far, low temperature and artificial 2D materials (quantum wells), but they differ in that no magnetic field is needed.

Going 3D

The next important theoretical development, in 2006, was the realization6–8 that even though the quantum Hall effect does not

general-ize to a genuinely 3D state, the topological insulator does, in a subtle way. Although a 3D ‘weak’ topological insulator can be formed by layering 2D versions, similar to layered quantum Hall states, the resultant state is not stable to disorder, and its physics is generally similar to that of the 2D state. In weak topological insulators, a dislocation (a line-like defect

in the crystal) will always contain a quantum wire like that at the edge of the quantum spin Hall effect (discussed earlier), which may allow 2D topological insulator physics to be observed in a 3D material9.

There is also, however, a ‘strong’ topological insulator, which has a more subtle relationship to the 2D case; the relationship is that in two dimensions it is possible to connect ordinary insulators and topologi-cal insulators smoothly by breaking time-reversal symmetry7. Such a

continuous interpolation can be used to build a 3D band structure that respects time-reversal symmetry, is not layered and is topologically non-trivial. It is this strong topological insulator that has protected metallic surfaces and has been the focus of experimental activity.

Spin–orbit coupling is again required and must mix all components of the spin. In other words, there is no way to obtain the 3D strong topologi-cal insulator from separate spin-up and spin-down electrons, unlike in the 2D case. Although this makes it difficult to picture the bulk physics of the 3D topological insulator (only the strong topological insulator will be discussed from this point), it is simple to picture its metallic surface6.

The unusual planar metal that forms at the surface of topological insulators ‘inherits’ topological properties from the bulk insulator. The simplest manifestation of this bulk–surface connection occurs at a smooth surface, where momentum along the surface remains well defined: each momentum along the surface has only a single spin state at the Fermi level, and the spin direction rotates as the momentum moves around the Fermi surface (Fig. 3). When disorder or impurities are added at the surface, there will be scattering between these surface states but, crucially, the topological properties of the bulk insulator do not allow the metallic surface state to vanish — it cannot become local-ized or gapped. These two theoretical predictions, about the electronic structure of the surface state and the robustness to disorder of its metallic behaviour, have led to a flood of experimental work on 3D topological insulators in the past two years.

Experimental realizations

The first topological insulator to be discovered was the alloy BixSb1−x,

the unusual surface bands of which were mapped in an angle-resolved photoemission spectroscopy (ARPES) experiment10,11. In ARPES

exper-iments, a high-energy photon is used to eject an electron from a crystal, and then the surface or bulk electronic structure is determined from an analysis of the momentum of the emitted electron. Although the surface structure of this alloy was found to be complex, this work launched a search for other topological insulators.

Figure 1 | Metallic states are born when a surface unties ‘knotted’ electron wavefunctions. a, An illustration of topological change and the resultant surface state. The trefoil knot (left) and the simple loop (right) represent different insulating materials: the knot is a topological insulator, and the loop is an ordinary insulator. Because there is no continuous deformation by which one can be converted into the other, there must be a surface where the string is cut, shown as a string with open ends (centre), to pass between the two knots; more formally, the topological invariants cannot remain

defined. If the topological invariants are always defined for an insulator, then the surface must be metallic. b, The simplest example of a knotted 3D electronic band structure (with two bands)35, known to mathematicians as the Hopf map. The full topological structure would also have linked fibres on each ring, in addition to the linking of rings shown here. The knotting in real topological insulators is more complex as these require a minimum of four electronic bands, but the surface structure that appears is relatively simple (Fig. 3).

195

NATURE|Vol 464|11 March 2010 PERSPECTIVE INSIGHT

194-198 Insight Moore NS.indd 195

194-198 Insight Moore NS.indd 195 3/3/10 11:30:563/3/10 11:30:56

© 20 Macmillan Pu blishers Limited. All rights reserved10

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右側通行と左側通行の例

(21)
(22)

Comparison of HgTe with

Cd Te

1D gapless edge states that lie inside the bulk insulating gap.

The edge states have a distinct helical property: Two states

with opposite spin polarization counterpropagate at a given

edge (

Kane and Mele, 2005a

;

Wu

et al., 2006

;

Xu and

Moore, 2006

). For this reason they are also called helical

edge states, i.e., the spin is correlated with the direction of

motion (

Wu et al., 2006

). The edge states come in Kramers

doublets, and TR symmetry ensures the crossing of their

energy levels at special points in the Brillouin zone (BZ).

Because of this level crossing, the spectrum of a QSH

insu-lator cannot be adiabatically deformed into that of a

topo-logically trivial insulator without helical edge states.

Therefore, in this sense, the QSH insulator represents a new

topologically distinct state of matter. In the special case that

SOC preserves a U

ð1Þ

s

subgroup of the full SU(2) spin

rotation group, the topological properties of the QSH state

can be characterized by the spin Chern number (

Sheng et al.,

2006

). More generally, the topological properties of the QSH

state are mathematically characterized by a

Z

2

topological

invariant (

Kane and Mele, 2005b

). States with an even

num-ber of Kramers pairs of edge states at a given edge are

topologically trivial, while those with an odd number are

topologically nontrivial. The

Z

2

topological quantum number

can also be defined for generally interacting systems and

experimentally measured in terms of the fractional charge

and quantized current on the edge (

Qi, Hughes, and Zhang,

2008a

), and spin-charge separation in the bulk (

Qi and Zhang,

2008

;

Ran et al., 2008

).

In this section, we focus on the basic theory of the QSH

state in the HgTe/CdTe system because of its simplicity and

experimental relevance and provide an explicit and

pedagog-ical discussion of the helpedagog-ical edge states and their transport

properties. There are several other theoretical proposals for

the QSH state, including bilayer bismuth (

Murakami, 2006

),

and the ‘‘broken-gap’’ type-II AlSb/InAs/GaSb quantum

wells (

Liu, Hughes et al., 2008

). Initial experiments in the

AlSb/InAs/GaSb system already show encouraging

signa-tures (

Knez et al., 2010

). The QSH system has also been

proposed for the transition metal oxide Na

2

IrO

3

(

Shitade

et al., 2009

). The concept of the fractional QSH state was

proposed at the same time as the QSH state (

Bernevig and

Zhang, 2006

) and has been recently investigated theoretically

in more detail (

Young et al., 2008

;

Levin and Stern, 2009

).

A. Effective model of the two-dimensional

time-reversal-invariant topological insulator

in HgTe/CdTe quantum wells

In this section we review the basic electronic structure of

bulk HgTe and CdTe and presented a simple model first

introduced by

Bernevig, Hughes, and Zhang (2006)

(BHZ)

to describe the physics of those subbands of HgTe/CdTe

quantum wells which are relevant for the QSH effect. HgTe

and CdTe crystallize in the zinc blende lattice structure. This

structure has the same geometry as the diamond lattice, i.e.,

two interpenetrating face-centered-cubic lattices shifted

along the body diagonal, but with a different atom on each

sublattice. The presence of two different atoms per lattice site

breaks inversion symmetry and thus reduces the point group

symmetry from O

h

(cubic) to T

d

(tetrahedral). However, even

though inversion symmetry is explicitly broken, this has only

a small effect on the physics of the QSH effect. To simplify

the discussion, we first ignore this bulk inversion asymmetry

(BIA).

For both HgTe and CdTe, the important bands near the

Fermi level are close to the ! point in the Brillouin zone

[Fig.

2(a)

]. They are a s-type band (!

6

), and a p-type band

split by SOC into a J

¼ 3=2 band (!

8

) and a J

¼ 1=2 band

(!

7

). CdTe has a band ordering similar to GaAs with a s-type

(!

6

) conduction band, and p-type valence bands (!

8

, !

7

)

which are separated from the conduction band by a large

energy gap (

$ 1:6 eV). Because of the large SOC present in

the heavy element Hg, the usual band ordering is inverted :

The negative energy gap of

%300 meV indicates that the !

8

band, which usually forms the valence band, is above the !

6

band. The light-hole !

8

band becomes the conduction band,

the heavy-hole band becomes the first valence band, and the

s-type band (!

6

) is pushed below the Fermi level to lie

between the heavy-hole band and the spin-orbit split-off

band (!

7

) [Fig.

2(a)

]. Because of the degeneracy between

heavy-hole and light-hole bands at the ! point, HgTe is a

zero-gap semiconductor.

When HgTe-based quantum well structures are grown, the

peculiar properties of the well material can be utilized to

tune the electronic structure. For wide QW layers, quantum

confinement is weak and the band structure remains inverted.

However, the confinement energy increases when the well

width is reduced. Thus, the energy levels will be shifted and,

eventually, the energy bands will be aligned in a ‘‘normal’’

way, if the QW thickness d

QW

falls below a critical thickness

d

c

. We can understand this heuristically as follows: for thin

QWs the heterostructure should behave similarly to CdTe

and have a normal band ordering, i.e., the bands with

primarily !

6

symmetry are the conduction subbands and

FIG. 2 (color).

(a) Bulk band structure of HgTe and CdTe;

(b) schematic picture of quantum well geometry and lowest

sub-bands for two different thicknesses. From

Bernevig et al., 2006

.

Xiao-Liang Qi and Shou-Cheng Zhang: Topological insulators and superconductors

1061

(23)

HgTeの厚さを変えるとバ

ンド反転

(24)

ではどうやってスピン電流を確認したか?

(25)

Ref. 7: Miao et al., Topological Insulator

Transition in a GaN/InN/GaN Quantum Well

PRL 109, 186803 (2012)

ultrathin InN layers embedded into GaN

inverted-band transition, a small SOI is sufficient to drive

the TI transition. Furthermore, we found that the large

polarization field induces a considerable Rashba SOI.

The Rashba SOI in QWs has attracted attention because

it can be adjusted by gate voltage [

23

,

24

] and band

engi-neering [

25

,

26

]. It thus provides a controllable approach to

enhancing spin-polarized transport in nonmagnetic

semi-conductors. From the eight-band Kane model, we estimate

the strength of this Rashba SOI to be on the order of 1 to

2 meV [Fig.

3(d)

]. This is comparable to the Rashba SOI

induced by an external electric field in InAs and HgTe

quantum wells [

11

,

12

]. A Rashba SOI of this magnitude

usually occurs only in systems containing heavier atoms.

The unusually large Rashba SOI in GaN=InN=GaN QWs is

due to the strength of the polarization field, which easily

exceeds 10 times the strength of an applied electric field

resulting from a gate voltage. Such a large Rashba effect

was noted in a previous study on a GaN=In

0:5

Ga

0:5

N=GaN

QW [

27

].

The proposed inverted band semiconductor structure

based on thin InN QWs and the presence of a TI state offer

considerable advantages over other systems including

graphene [

3

], the Bi chalcogenides [

7

], and the Heusler

compounds [

8

]. GaN=InN=GaN QW structures can be

integrated in nitride-based transistors, which are already

extensively used in high-frequency and high-power

de-vices [

28

]. Because charge carriers can screen the

polar-ization fields, the polarpolar-ization potential can be controlled

by adjusting the carriers densities in the QW, and therefore

the TI transition can be controlled by doping or applying a

bias voltage.

High quality InN layers in GaN matrix with a thickness

of 1–2 ML and atomically sharp interfaces have already

been fabricated [

29

,

30

]. Both photoluminescence [

29

] and

electroluminescence [

31

] originating from electron-hole

recombination have been observed. We have estimated

that the critical thickness of InN layers pseudomorphically

grown on a GaN substrate is as large as 17 A

˚ , which

corresponds to more than 5 InN MLs [

19

]. This is sufficient

to allow the topological insulator transition to occur.

In summary, based on first-principles calculations and

an effective low-energy k

! p model, we have

demon-strated that ultrathin GaN=InN=GaN QWs can undergo

an inverted band transition and become a topological

insulator. This quantum phase transition is driven by the

strong polarization fields originating from the wurtzite

symmetry and lattice mismatch, and by the Rashba

spin-orbit interaction resulting from the field. This is the

first demonstration of the formation of a TI phase caused

by intrinsic polarization in commonly used

semiconduc-tors with weak intrinsic SOI. Since polarization fields

occur in many materials, a similar mechanism may apply

to other systems as well. Our approach may pave the way

toward integrating controllable TIs with conventional

semiconductor devices.

We thank Professor X.-L. Qi for valuable discussions.

M. S. M. was supported as part of the Center for Energy

Efficient Materials, an Energy Frontier Research Center

funded by the U.S. DOE-BES (Grant No. DE-SC0001009).

M. S. M. also thanks the ConvEne-IGERT Program

(NSF-DGE0801627)

and

the

MRSEC

program

(NSF-DMR1121053). Q. Y. was supported by the UCSB Solid

State Lighting and Energy Center. C. V. d W. was supported

by NSF under Grant No. DMR-0906805. W. K. L, L. L. L.

and K. C. were supported by the National Basic Research

Program

of

China

(973

Program)

under

Grant

No. 2011CB922204 and the NSF of China under Grant

No. 10934007. The electronic structure calculations made

use of NSF-funded TeraGrid resources under Grant

No. DMR07-0072N.

*

[email protected]

[email protected]

[1] M. Z. Hasan and C. L. Kane,

Rev. Mod. Phys. 82 , 3045

(2010)

.

[2] X. L. Qi and S. C. Zhang,

Rev. Mod. Phys. 83 , 1057

(2011)

.

FIG. 3 (color online).

(a) Band structure of a 16 A

˚

GaN=InN=GaN QW obtained from the six-band effective

Hamiltonian. (b) Schematic of an infinite long spin Hall bar

with a width (along y) of 1000 A

˚ . The thickness along the [0001]

growth direction (labeled as z) comprises the InN QW plus two

200-A

˚ -thick GaN barrier layers on either side. The yellow lines

show the helical edge states, and the green arrows show the spin

orientation. The short black arrows indicate the

polarization-induced electric field. (c) Band structure of the Hall bar obtained

by solving the effective six-band model. The insets show the

density distributions of one Kramers pair of edge states: on the

left the spin-up state at k

k

¼ # 0:1 !A

# 1

, on the right the

spin-down state at k

k

¼ 0:1 !A

# 1

. (d) Rashba spin splitting (RSS) of

electron (green), HH (blue) and LH (red) subbands.

PRL 109, 186803 (2012)

P H Y S I C A L

R E V I E W

L E T T E R S

2 NOVEMBER 2012

week ending

186803-4

polarization can invert the bands of a GaN=InN=GaN QW

when the InN thickness exceeds three monolayers (ML)–a

ML being defined as a double layer of In and N (with a

thickness of 3.12 A

˚ in strained InN) along the [0001] axis.

We then use an eight-band k

! p model that includes both

SOI and the strong polarization field to prove that such a

system can become a TI and possess edge states in the

energy gap of a Hall bar structure.

The proposed TI has many unique advantages, including

(1) it can be realized based on commonly used

semicon-ductors and be integrated into various devices, (2) it is

driven by large intrinsic polarization fields, (3) the TI state

can be manipulated by applying external fields or injecting

charge carriers and can be adjusted by standard

semicon-ductor techniques, including doping, alloying and varying

the QW thickness, and (4) the polarization field can induce a

large Rashba SOI in this system containing only light

elements, which provides a new approach to manipulating

spin freedom in such systems.

Our proposed QW consists of InN layers sandwiched

between GaN along the [0001] direction [Fig.

1(b)].

Group-III nitrides (III-N), including InN, GaN, and AlN,

have been intensively studied because of their applications

in light emitters, high-frequency transistors, and many other

areas. An important feature of III-N compounds is that

although their band gap varies from 0.7 eV to 6.2 eV, all

three compounds and their alloys are stable in the same

wurtzite structure with relatively modest variations in a

lattice constant. This feature, combined with advanced

growth techniques, allows the fabrication of high-quality

alloys and heterojunctions. InN has a fundamental gap of

only

" 0:7 eV [

13], resulting in strong coupling between the

electron and hole states and leading to a large

nonparabo-licity of the bands around the ! point [Fig.

1(c)] as well as an

exceedingly small electron effective mass of 0:067m

0

[14].

Our first-principles calculations are based on density

functional theory (DFT) with a plane-wave basis set and

projector augmented waves [15], as implemented in the

VASP

program [16]. Because the accuracy of the band gap

is of key importance for this Letter, we employ a hybrid

functional [

17]. Recent calculations have demonstrated the

reliability of this approach for producing structural

pa-rameters as well as band gaps in agreement with

experi-ment. Using a standard mixing parameter of 0.25, we found

the band gaps of GaN and InN to be 3.25 and 0.62 eV

(Ref. [18]). The lattice parameters a

¼ b and c are found to

be 3.182 and 5.175 A

˚ for GaN and 3.548 and 5.751 A˚ for

InN. The GaN=InN=GaN QW is modeled by a supercell

consisting of 1 to 5 atomic layers of InN and 23 or 24

atomic layers of GaN (periodicity requires that the total

number of atomic layers be even). The SOI is not included

in the first-principles calculations, but its effect is included

in the k

! p model.

Figures

2(a)

and

2(b)

show band structures around the !

point calculated with DFT using the hybrid functional of

Heyd, Scuseria and Ernzerhof (HSE) [17], and Fig.

2(c)

shows the band gap as a function of the number of InN

layers. At 2 ML, the system has a gap of 0.82 eV (larger than

the fundamental gap due to strain and quantum

confine-ment), but at 3 ML this is reduced to 0.06 eV [Fig.

2(c)]. In

both these cases, the band structures are still normal in the

sense that the heavy hole (HH) and light hole (LH) states are

degenerate at the ! point (!

6

) and are lower in energy than

the electron state (E) (!

1

). At 4 ML, however, the system

exhibits an inverted band structure, in which the !

6

states

are 0.10 eV higher than the !

1

state. In Figs.

2(a)

and

2(b),

the states around the ! point are denoted by their symmetry.

Such an inverted band structure is a signature of the

tran-sition to a TI state.

We now discuss the details of this transition to an

inverted band structure. For an ultra-thin QW, the gap

between the valence and conduction states is determined

by the interplay of three factors, namely quantum

confine-ment, polarization field, and strain. The

quantum-confinement effect is large for these thin QWs, explaining

FIG. 2 (color online).

(a) and (b) Band structure of a

GaN=InN=GaN QW around the ! point for 2 and 4 ML of

InN, based on first-principles DFT-HSE calculations. The green

lines represent electron states, red lines light-hole states, and

blue lines heavy-hole states. (c) Calculated energy gaps as

a function of the thickness of InN layers for polar ([0001])

(blue squares) and nonpolar (

½10"10%) (orange diamonds)

GaN=InN=GaN QWs. The thicknesses were scaled to the

thick-ness of 1 ML of InN in a polar QW and therefore correspond to

the number of InN layers in the polar case. The inset shows a

½10"10% QW with two InN layers. (d) Polarization field as a

function of number of inserted InN layers calculated by

DFT-HSE (blue squares) and based on theoretical polarization

con-stants (orange circles). The blue and red block arrows in the inset

show the polarization direction of GaN and InN regions [

19

].

PRL 109, 186803 (2012)

P H Y S I C A L

R E V I E W

L E T T E R S

2 NOVEMBER 2012

week ending

186803-2

T. Nakaoka’s idea

5 layers of InN

(26)

Weyl semimetal

Weyl semimetal:H=±v (p±p

0

)

σ, E=±v |p±p

0

|

surface states appear in certain direction.

Huang et al., Nat. Commun. 6, 7373 (2015).

Xu et al., Nature Phys.

11, 748–754 (2015)

(27)
(28)

Weyl semimetal

Weyl semimetal:H=±v (p±p

0

)

σ, E=±v |p±p

0

|

surface states appear in certain direction.

Huang et al., Nat. Commun. 6, 7373 (2015).

Xu et al., Nature Phys.

11, 748–754 (2015)

(29)
(30)

band insulator to WSM

p

s

randomness

band Insulator

パラメータを変える

k

ε

Weyl semimetal

E=vk

(31)

WSMの表面状態

β=0.45

(32)

まとめ

• トポロジカル絶縁体 à

電流やスピンの向きが偏った

端・表面状態

をもつ

• これらの状態は摂動によっても壊されない

• トポロジカル絶縁体は2種類に分かれる: 量子ホール型(Z

型)と量子スピンホール型

(Z

2

)

FIG.  1.  Schematic  diagram  of  a  phase  of  a  wavefunction  in  the  magnetic  Brillouin  zone
FIG. 2 (color). (a) Bulk band structure of HgTe and CdTe;
Figure 1  |  Metallic states are born when a surface unties ‘knotted’ electron  wavefunctions. a , An illustration of topological change and the resultant  surface state
FIG. 2 (color). (a) Bulk band structure of HgTe and CdTe;

参照

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