introduction to band topology and dirac cone

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Bloch’s Band theory Berry theory Dirac cone Z 2 Band Topology Topological Invariants in 3D Introduction to Band Topology and Dirac Cone Leandro Seixas Rocha Instituto de F´ ısica, Universidade de S˜ ao Paulo March 16, 2012

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Page 1: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Introduction toBand Topology and Dirac Cone

Leandro Seixas Rocha

Instituto de Fısica, Universidade de Sao Paulo

March 16, 2012

Page 2: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Contents

1 Bloch’s Band theory

2 Berry theory

3 Dirac cone

4 Z2 Band Topology

5 Topological Invariants in 3D

Page 3: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Motivation

Recently, the topology of electronic states (or Bloch Hamiltonians) becamesimportant for description of Electronic Structure of materials.

Topology (Homotopy theory) were already being used to study topological defectsin media such as liquid crystals, Quantum Hall Effect (QHE), and High-energyphysics (Gauge field theory and Gravitation).

Topological states can be important for spintronics and fault-toleranttopological quantum computation.

Page 4: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Motivation

Recently, the topology of electronic states (or Bloch Hamiltonians) becamesimportant for description of Electronic Structure of materials.

Topology (Homotopy theory) were already being used to study topological defectsin media such as liquid crystals, Quantum Hall Effect (QHE), and High-energyphysics (Gauge field theory and Gravitation).

Topological states can be important for spintronics and fault-toleranttopological quantum computation.

Page 5: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Motivation

Recently, the topology of electronic states (or Bloch Hamiltonians) becamesimportant for description of Electronic Structure of materials.

Topology (Homotopy theory) were already being used to study topological defectsin media such as liquid crystals, Quantum Hall Effect (QHE), and High-energyphysics (Gauge field theory and Gravitation).

Topological states can be important for spintronics and fault-toleranttopological quantum computation.

Page 6: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch’s Band theory

Page 7: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Solid-state review

Crystal

The physical systems studied here are crystals(2D or 3D), periodic by translation vectors ofBravais lattice

R =3∑

i=1

ni ai , ∀ni ∈ Z, (1)

where {ai} are the basis vectors, given by eachmaterial.

For each unit cell, there is a basis with thepositions of atoms.

Page 8: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Solid-state review

Crystal

The physical systems studied here are crystals(2D or 3D), periodic by translation vectors ofBravais lattice

R =3∑

i=1

ni ai , ∀ni ∈ Z, (1)

where {ai} are the basis vectors, given by eachmaterial.

For each unit cell, there is a basis with thepositions of atoms.

Page 9: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Solid-state review

Reciprocal lattice and Brillouin zone

The dual space of Bravais lattice is theReciprocal lattice, formed by the vectors

G =3∑

i=1

mi bi , ∀mi ∈ Z, (2)

where {bi} are vectors satisfying the conditionai · bj = 2πδij .

The electronic states are labeled by the vectors kin Brillouin zone (BZ), obeying the condition

|k| < |k− G|, ∀G. (3)

Page 10: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Solid-state review

Reciprocal lattice and Brillouin zone

The dual space of Bravais lattice is theReciprocal lattice, formed by the vectors

G =3∑

i=1

mi bi , ∀mi ∈ Z, (2)

where {bi} are vectors satisfying the conditionai · bj = 2πδij .

The electronic states are labeled by the vectors kin Brillouin zone (BZ), obeying the condition

|k| < |k− G|, ∀G. (3)

Page 11: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Bloch Hamiltonian

Bloch’s theorem

The eigenstates of a periodic Hamiltonian T−1R HTR = H, are

〈r|ψnk〉 = e ik·r 〈r|unk〉 , (4)

with 〈r + R|unk〉 = 〈r|unk〉.

The Schrodinger equation for these states are

H(k)|unk〉 = En(k)|unk〉, (5)

where

H(k) = e ik·rHe−ik·r (6)

is the Bloch Hamiltonian.

Page 12: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Bloch Hamiltonian

Bloch’s theorem

The eigenstates of a periodic Hamiltonian T−1R HTR = H, are

〈r|ψnk〉 = e ik·r 〈r|unk〉 , (4)

with 〈r + R|unk〉 = 〈r|unk〉.

The Schrodinger equation for these states are

H(k)|unk〉 = En(k)|unk〉, (5)

where

H(k) = e ik·rHe−ik·r (6)

is the Bloch Hamiltonian.

Page 13: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Fundamental domain and Brillouin Zone Topology

The Bloch Hamiltonian is periodic in k-space

H(k + bi ) = H(k), ∀k ∈ BZ , and i = 1, 2, 3. (7)

The Fundamental domain of Bloch Hamiltonian is the Brillouin Zone (BZ).

If H(k1) = H(k2), then k1 ∼ k2, is called identification of points k1 and k2.

Brillouin Zone as Torus (T 3BZ ).

Page 14: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Fundamental domain and Brillouin Zone Topology

The Bloch Hamiltonian is periodic in k-space

H(k + bi ) = H(k), ∀k ∈ BZ , and i = 1, 2, 3. (7)

The Fundamental domain of Bloch Hamiltonian is the Brillouin Zone (BZ).

If H(k1) = H(k2), then k1 ∼ k2, is called identification of points k1 and k2.

Brillouin Zone as Torus (T 3BZ ).

Page 15: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Fundamental domain and Brillouin Zone Topology

The Bloch Hamiltonian is periodic in k-space

H(k + bi ) = H(k), ∀k ∈ BZ , and i = 1, 2, 3. (7)

The Fundamental domain of Bloch Hamiltonian is the Brillouin Zone (BZ).

If H(k1) = H(k2), then k1 ∼ k2, is called identification of points k1 and k2.

Brillouin Zone as Torus (T 3BZ ).

Page 16: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Fundamental domain and Brillouin Zone Topology

The Bloch Hamiltonian is periodic in k-space

H(k + bi ) = H(k), ∀k ∈ BZ , and i = 1, 2, 3. (7)

The Fundamental domain of Bloch Hamiltonian is the Brillouin Zone (BZ).

If H(k1) = H(k2), then k1 ∼ k2, is called identification of points k1 and k2.

Brillouin Zone as Torus (T 3BZ ).

Page 17: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Bloch Hamiltonian space

Set of all Bloch Hamiltonians (for occupied state) is called M.

Band structure is defined by

H : T 3BZ →M, [k 7→ H(k)] . (8)

M` is the space of all Bloch Hamiltonians with `-fold degenerate eigenvalues.

Mj ,` is the space of Bloch Hamiltonians with j-fold and `-fold degenerateeigenvalues.

Topology of Bloch Hamiltonian space is called Band topology.

Page 18: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Bloch Hamiltonian space

Set of all Bloch Hamiltonians (for occupied state) is called M.

Band structure is defined by

H : T 3BZ →M, [k 7→ H(k)] . (8)

M` is the space of all Bloch Hamiltonians with `-fold degenerate eigenvalues.

Mj ,` is the space of Bloch Hamiltonians with j-fold and `-fold degenerateeigenvalues.

Topology of Bloch Hamiltonian space is called Band topology.

Page 19: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Bloch Hamiltonian space

Set of all Bloch Hamiltonians (for occupied state) is called M.

Band structure is defined by

H : T 3BZ →M, [k 7→ H(k)] . (8)

M` is the space of all Bloch Hamiltonians with `-fold degenerate eigenvalues.

Mj ,` is the space of Bloch Hamiltonians with j-fold and `-fold degenerateeigenvalues.

Topology of Bloch Hamiltonian space is called Band topology.

Page 20: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Bloch Hamiltonian space

Set of all Bloch Hamiltonians (for occupied state) is called M.

Band structure is defined by

H : T 3BZ →M, [k 7→ H(k)] . (8)

M` is the space of all Bloch Hamiltonians with `-fold degenerate eigenvalues.

Mj ,` is the space of Bloch Hamiltonians with j-fold and `-fold degenerateeigenvalues.

Topology of Bloch Hamiltonian space is called Band topology.

Page 21: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonian

Bloch Hamiltonian space

Set of all Bloch Hamiltonians (for occupied state) is called M.

Band structure is defined by

H : T 3BZ →M, [k 7→ H(k)] . (8)

M` is the space of all Bloch Hamiltonians with `-fold degenerate eigenvalues.

Mj ,` is the space of Bloch Hamiltonians with j-fold and `-fold degenerateeigenvalues.

Topology of Bloch Hamiltonian space is called Band topology.

Page 22: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Band topology

Band Topology

Topology

Topology is the mathematical study of the properties that are preserved throughdeformations, twistings, and stretchings of objects. Tearing, however, is not allowed.a

aWeisstein, Eric W. “Topology.” From MathWorld–A Wolfram Web Resource. http://mathworld.wolfram.com/Topology.html

The space of Bloch Hamiltonians (M) is a topological space.

Two Bloch Hamiltonians H(k) and H′(k) are topologically equivalent if there isa smooth function (Homotopy)

F (λ), λ ∈ [0, 1] (9)

with H = F (0) and H′ = F (1).

Page 23: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Band topology

Band Topology

Topology

Topology is the mathematical study of the properties that are preserved throughdeformations, twistings, and stretchings of objects. Tearing, however, is not allowed.a

aWeisstein, Eric W. “Topology.” From MathWorld–A Wolfram Web Resource. http://mathworld.wolfram.com/Topology.html

The space of Bloch Hamiltonians (M) is a topological space.

Two Bloch Hamiltonians H(k) and H′(k) are topologically equivalent if there isa smooth function (Homotopy)

F (λ), λ ∈ [0, 1] (9)

with H = F (0) and H′ = F (1).

Page 24: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Band topology

Band Topology

Topology

Topology is the mathematical study of the properties that are preserved throughdeformations, twistings, and stretchings of objects. Tearing, however, is not allowed.a

aWeisstein, Eric W. “Topology.” From MathWorld–A Wolfram Web Resource. http://mathworld.wolfram.com/Topology.html

The space of Bloch Hamiltonians (M) is a topological space.

Two Bloch Hamiltonians H(k) and H′(k) are topologically equivalent if there isa smooth function (Homotopy)

F (λ), λ ∈ [0, 1] (9)

with H = F (0) and H′ = F (1).

Page 25: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Band topology

Visualization of Homotopy

The smooth function F (λ), also known as homotopy, can be seen asdeformation of Bloch Hamiltonians.

Figure: Homotopy between mug and torus.

Page 26: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Band topology

Topological invariant

Generally we cannot determine the homotopy between topological spaces.

Since the deformation is continous, integer number associated to topologicalspaces should be preserved under deformations. (Idea of Algebraic topology)

Topological invariant

Topological invariant is a properties (integer) of a topological space (M) which isinvariant under deformations.

Two topologically equivalent spaces must share all the topological invariants.

Topological invariant is a properties of entire space.

Page 27: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Band topology

Topological invariant

Generally we cannot determine the homotopy between topological spaces.

Since the deformation is continous, integer number associated to topologicalspaces should be preserved under deformations. (Idea of Algebraic topology)

Topological invariant

Topological invariant is a properties (integer) of a topological space (M) which isinvariant under deformations.

Two topologically equivalent spaces must share all the topological invariants.

Topological invariant is a properties of entire space.

Page 28: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Band topology

Topological invariant

Generally we cannot determine the homotopy between topological spaces.

Since the deformation is continous, integer number associated to topologicalspaces should be preserved under deformations. (Idea of Algebraic topology)

Topological invariant

Topological invariant is a properties (integer) of a topological space (M) which isinvariant under deformations.

Two topologically equivalent spaces must share all the topological invariants.

Topological invariant is a properties of entire space.

Page 29: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Band topology

Topological invariant

Generally we cannot determine the homotopy between topological spaces.

Since the deformation is continous, integer number associated to topologicalspaces should be preserved under deformations. (Idea of Algebraic topology)

Topological invariant

Topological invariant is a properties (integer) of a topological space (M) which isinvariant under deformations.

Two topologically equivalent spaces must share all the topological invariants.

Topological invariant is a properties of entire space.

Page 30: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Band topology

Topological invariant

Generally we cannot determine the homotopy between topological spaces.

Since the deformation is continous, integer number associated to topologicalspaces should be preserved under deformations. (Idea of Algebraic topology)

Topological invariant

Topological invariant is a properties (integer) of a topological space (M) which isinvariant under deformations.

Two topologically equivalent spaces must share all the topological invariants.

Topological invariant is a properties of entire space.

Page 31: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry theory

Page 32: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Parallel transport

Parallel transport (Tulio Levi-Civita, 1917)

A differential displacement in k vector gives

|unk〉 −→ |unk+dk〉 = |unk〉+ ∇k|unk〉 · dk. (10)

Parallel component is calculated applying the projector P‖ = |unk〉〈unk|

|unk〉P‖−→ |unk〉 〈unk|unk+dk〉 = |unk〉+ |unk〉〈unk|∇k|unk〉 · dk. (11)

Page 33: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Parallel transport

Parallel transport (Tulio Levi-Civita, 1917)

A differential displacement in k vector gives

|unk〉 −→ |unk+dk〉 = |unk〉+ ∇k|unk〉 · dk. (10)

Parallel component is calculated applying the projector P‖ = |unk〉〈unk|

|unk〉P‖−→ |unk〉 〈unk|unk+dk〉 = |unk〉+ |unk〉〈unk|∇k|unk〉 · dk. (11)

Page 34: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry connection

Berry connection

The Bloch states |unk〉 and |unk+dk〉 are “connected” by Berry connection

An(k) = −i〈unk|∇k|unk〉. (12)

The parallel differential displacement of Bloch state gives

〈unk|unk+dk〉 = 1 + iAn(k) · dk, (13)

For finite parallel transport, from ki to kf , we have

〈unki|unkf〉 = e

i∫ kf

kidk′·An (14)

Page 35: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry connection

Berry connection

The Bloch states |unk〉 and |unk+dk〉 are “connected” by Berry connection

An(k) = −i〈unk|∇k|unk〉. (12)

The parallel differential displacement of Bloch state gives

〈unk|unk+dk〉 = 1 + iAn(k) · dk, (13)

For finite parallel transport, from ki to kf , we have

〈unki|unkf〉 = e

i∫ kf

kidk′·An (14)

Page 36: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry connection

Berry connection

The Bloch states |unk〉 and |unk+dk〉 are “connected” by Berry connection

An(k) = −i〈unk|∇k|unk〉. (12)

The parallel differential displacement of Bloch state gives

〈unk|unk+dk〉 = 1 + iAn(k) · dk, (13)

For finite parallel transport, from ki to kf , we have

〈unki|unkf〉 = e

i∫ kf

kidk′·An (14)

Page 37: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry phase and holonomy

Berry phase

Integrating in a loop C (= ∂S), we found⟨uinitial

nk |ufinalnk

⟩= e i

∮C dk′·An(k′). (15)

Berry phase

A Bloch state |unk〉 acquires the Berry phasea

γn(S) =

∮∂S

dk · An(k), (16)

when this state is parallel transported through a loop ∂S in k-space.

aM.V. Berry, Proc. Roy. Soc. London Ser. A, 392, 45 (1984).

Page 38: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry phase and holonomy

Berry phase

Integrating in a loop C (= ∂S), we found⟨uinitial

nk |ufinalnk

⟩= e i

∮C dk′·An(k′). (15)

Berry phase

A Bloch state |unk〉 acquires the Berry phasea

γn(S) =

∮∂S

dk · An(k), (16)

when this state is parallel transported through a loop ∂S in k-space.

aM.V. Berry, Proc. Roy. Soc. London Ser. A, 392, 45 (1984).

Page 39: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry phase and holonomy

Berry phase as holonomy

The Berry phase in a closed path onto a curved surface is seen as holonomy ofBerry connection1.

Figure: Holonomy (Hannay’s angle) of parallel transport of a vector onto a sphere.

1B. Simon, Phys. Rev. Lett. 51, 2167 (1983).

Page 40: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry curvature

Berry curvature

Using the Stokes’ theorem for the Berry phase, we have

γn(S) =

∫Sd2k · Bn(k), (17)

where

Bn(k) = ∇k × An(k) (18)

is the Berry curvature.

Page 41: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry curvature

Berry curvature (cont’d)

From Berry curvature expression, we have

Bn(k) = −i∇k × 〈unk|∇kunk〉 = −i〈∇kunk| × |∇kunk〉. (19)

Using the completeness relation and Schrodinger equation derivative

Bn(k) = −i∑n 6=n′

〈unk|∇kH|un′k〉 × 〈un′k|∇kH|unk〉(En(k)− En′(k))2

. (20)

At degeneracy En(k0) = En′(k0), the Berry curvature is singular,

limk→k0

Bn(k) =∞. (21)

Page 42: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry curvature

Berry curvature (cont’d)

From Berry curvature expression, we have

Bn(k) = −i∇k × 〈unk|∇kunk〉 = −i〈∇kunk| × |∇kunk〉. (19)

Using the completeness relation and Schrodinger equation derivative

Bn(k) = −i∑n 6=n′

〈unk|∇kH|un′k〉 × 〈un′k|∇kH|unk〉(En(k)− En′(k))2

. (20)

At degeneracy En(k0) = En′(k0), the Berry curvature is singular,

limk→k0

Bn(k) =∞. (21)

Page 43: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Berry curvature

Berry curvature (cont’d)

From Berry curvature expression, we have

Bn(k) = −i∇k × 〈unk|∇kunk〉 = −i〈∇kunk| × |∇kunk〉. (19)

Using the completeness relation and Schrodinger equation derivative

Bn(k) = −i∑n 6=n′

〈unk|∇kH|un′k〉 × 〈un′k|∇kH|unk〉(En(k)− En′(k))2

. (20)

At degeneracy En(k0) = En′(k0), the Berry curvature is singular,

limk→k0

Bn(k) =∞. (21)

Page 44: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Chern number

Chern number

For 2D systems, the Brillouin Zone is the surfaceT 2

BZ .

Taking the parallel transport along a loop(C = ∂S) and the inverse loop (−C = ∂Sc), theBerry phase acquires is

eγn(Sc )eγn(S) = 1⇒ eγn(Sc⋃S) = 1, (22)

and using S ∪ Sc = T 2BZ , we have

γn(T 2BZ ) = 2π × integer. (23)

Figure: Loops onto Brillouinzone (T 2

BZ ).

Page 45: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Chern number

Chern number

For 2D systems, the Brillouin Zone is the surfaceT 2

BZ .

Taking the parallel transport along a loop(C = ∂S) and the inverse loop (−C = ∂Sc), theBerry phase acquires is

eγn(Sc )eγn(S) = 1⇒ eγn(Sc⋃S) = 1, (22)

and using S ∪ Sc = T 2BZ , we have

γn(T 2BZ ) = 2π × integer. (23)

Figure: Loops onto Brillouinzone (T 2

BZ ).

Page 46: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Chern number

Chern number (cont’d)

Chern number

From each Bloch state |unk〉, we can associate the integer number

C1n =

1

∫T 2

BZ

d2k · Bn(k), (24)

known as First Chern number (or just Chern number).

We can also define a Chern number for all occupied states (En(k) < EF )

C1 =occ∑

n

C1n ,

∞∑n=1

C1n = 0. (25)

Page 47: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Chern number

Chern number vs. Euler characteristic

Chern number is a topological invariant of Bloch Hamiltonian.

The Chern number is similar to Euler characteristic.

Gauss–Bonnet theorem

The Gauss–Bonnet theorem is

1

∫MdS ·K = χ(M), (26)

where χ(M) = 2(1− g) is the Euler characteristic and g is the genus of surface M.

Page 48: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Dirac cone

Page 49: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Symmetry and degeneracy

Symmetry and degeneracy

Symmetries can leads point-like degeneracies.

A general symmetry operator is represented by an unitary operator S, leading

H(k)S−→ H′(k) = SH(k)S−1, and |unk〉

S−→ |u′nk〉 = S|unk〉. (27)

If at k = k0, S is a symmetry operator, then

SHS−1 = H ⇒ [H,S] = 0. (28)

Consequently

H (S|unk0〉) = En (S|unk0〉) , and H|unk0〉 = En|unk0〉, (29)

i.e., the states |unk0〉 and S|unk0〉 are degenerate.

Page 50: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Symmetry and degeneracy

Symmetry and degeneracy

Symmetries can leads point-like degeneracies.

A general symmetry operator is represented by an unitary operator S, leading

H(k)S−→ H′(k) = SH(k)S−1, and |unk〉

S−→ |u′nk〉 = S|unk〉. (27)

If at k = k0, S is a symmetry operator, then

SHS−1 = H ⇒ [H,S] = 0. (28)

Consequently

H (S|unk0〉) = En (S|unk0〉) , and H|unk0〉 = En|unk0〉, (29)

i.e., the states |unk0〉 and S|unk0〉 are degenerate.

Page 51: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Symmetry and degeneracy

Symmetry and degeneracy

Symmetries can leads point-like degeneracies.

A general symmetry operator is represented by an unitary operator S, leading

H(k)S−→ H′(k) = SH(k)S−1, and |unk〉

S−→ |u′nk〉 = S|unk〉. (27)

If at k = k0, S is a symmetry operator, then

SHS−1 = H ⇒ [H,S] = 0. (28)

Consequently

H (S|unk0〉) = En (S|unk0〉) , and H|unk0〉 = En|unk0〉, (29)

i.e., the states |unk0〉 and S|unk0〉 are degenerate.

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Symmetry and degeneracy

Symmetry and degeneracy

Symmetries can leads point-like degeneracies.

A general symmetry operator is represented by an unitary operator S, leading

H(k)S−→ H′(k) = SH(k)S−1, and |unk〉

S−→ |u′nk〉 = S|unk〉. (27)

If at k = k0, S is a symmetry operator, then

SHS−1 = H ⇒ [H,S] = 0. (28)

Consequently

H (S|unk0〉) = En (S|unk0〉) , and H|unk0〉 = En|unk0〉, (29)

i.e., the states |unk0〉 and S|unk0〉 are degenerate.

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von Neumann–Wigner theorem

von Neumann–Wigner theorem

von Neumann–Wigner theorem

The codimensiona of a double degeneracy is three.

aCodimension of degeneracy is the number of null parameters that are fixed to hold thedegeneracy.

Consider two degenerate quantum states |u1nk0〉 and |u2

nk0〉. A symmetry operator

S acting on these states gives

S|uαnk0〉 =

2∑β=1

D(n)αβ (S)|uβnk0

〉, (30)

i.e., the states {|uαnk0〉} span the basis for Γnk0 representation (Partner states).

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Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

von Neumann–Wigner theorem

von Neumann–Wigner theorem (cont’d)

Since [H,S] = 0, so

H|uαnk0〉 =

2∑β=1

Hαβ|uβnk0〉, (31)

i.e., the eigenstates of Hamiltonian are the same of S.

In matrix form (H11 H12

H21 H22

)(|u1

nk0〉

|u2nk0〉

)= En

(|u1

nk0〉

|u2nk0〉

). (32)

In the basis {1l, σ1, σ2, σ3}, we have

H = h01l + h1σ1 + h2σ2 + h3σ3 =

(h0 + h3 h1 − ih2

h1 + ih2 h0 − h3

). (33)

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Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

von Neumann–Wigner theorem

von Neumann–Wigner theorem (cont’d)

Since [H,S] = 0, so

H|uαnk0〉 =

2∑β=1

Hαβ|uβnk0〉, (31)

i.e., the eigenstates of Hamiltonian are the same of S.

In matrix form (H11 H12

H21 H22

)(|u1

nk0〉

|u2nk0〉

)= En

(|u1

nk0〉

|u2nk0〉

). (32)

In the basis {1l, σ1, σ2, σ3}, we have

H = h01l + h1σ1 + h2σ2 + h3σ3 =

(h0 + h3 h1 − ih2

h1 + ih2 h0 − h3

). (33)

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von Neumann–Wigner theorem

von Neumann–Wigner theorem (cont’d)

Since [H,S] = 0, so

H|uαnk0〉 =

2∑β=1

Hαβ|uβnk0〉, (31)

i.e., the eigenstates of Hamiltonian are the same of S.

In matrix form (H11 H12

H21 H22

)(|u1

nk0〉

|u2nk0〉

)= En

(|u1

nk0〉

|u2nk0〉

). (32)

In the basis {1l, σ1, σ2, σ3}, we have

H = h01l + h1σ1 + h2σ2 + h3σ3 =

(h0 + h3 h1 − ih2

h1 + ih2 h0 − h3

). (33)

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Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

von Neumann–Wigner theorem

von Neumann–Wigner theorem (cont’d)

Since |uαnk〉 are degenerate eigenstates, we have(h0 + h3 h1 − ih2

h1 + ih2 h0 − h3

)=

(En(k0) 0

0 En(k0)

), (34)

and, consequently

h0(k0) = En(k0), hi (k0) = 0, i = 1, 2, 3. � (35)

The conditions hi (k0) = 0 for i = 1, 2, 3 is the proof of von Neumann–Wignertheorem.

Note that, if any parameter hi is non-zero, the degeneracy is broken.

The h0 can be eliminated without loss of generality.

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von Neumann–Wigner theorem

von Neumann–Wigner theorem (cont’d)

Since |uαnk〉 are degenerate eigenstates, we have(h0 + h3 h1 − ih2

h1 + ih2 h0 − h3

)=

(En(k0) 0

0 En(k0)

), (34)

and, consequently

h0(k0) = En(k0), hi (k0) = 0, i = 1, 2, 3. � (35)

The conditions hi (k0) = 0 for i = 1, 2, 3 is the proof of von Neumann–Wignertheorem.

Note that, if any parameter hi is non-zero, the degeneracy is broken.

The h0 can be eliminated without loss of generality.

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Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

von Neumann–Wigner theorem

von Neumann–Wigner theorem (cont’d)

Since |uαnk〉 are degenerate eigenstates, we have(h0 + h3 h1 − ih2

h1 + ih2 h0 − h3

)=

(En(k0) 0

0 En(k0)

), (34)

and, consequently

h0(k0) = En(k0), hi (k0) = 0, i = 1, 2, 3. � (35)

The conditions hi (k0) = 0 for i = 1, 2, 3 is the proof of von Neumann–Wignertheorem.

Note that, if any parameter hi is non-zero, the degeneracy is broken.

The h0 can be eliminated without loss of generality.

Page 60: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

von Neumann–Wigner theorem

von Neumann–Wigner theorem (cont’d)

Since |uαnk〉 are degenerate eigenstates, we have(h0 + h3 h1 − ih2

h1 + ih2 h0 − h3

)=

(En(k0) 0

0 En(k0)

), (34)

and, consequently

h0(k0) = En(k0), hi (k0) = 0, i = 1, 2, 3. � (35)

The conditions hi (k0) = 0 for i = 1, 2, 3 is the proof of von Neumann–Wignertheorem.

Note that, if any parameter hi is non-zero, the degeneracy is broken.

The h0 can be eliminated without loss of generality.

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Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Dirac cone

Dirac cone

In the vicinity of k0, the condition hi = 0(H(k0) = 0) can be relaxed.

From continuity of the Hamiltonian

H(k) = h(k) · σ =

(h3 h1 − ih2

h1 + ih2 −h3

). (36)

Dirac cone

The band structure E±(k) = ±√

h21 + h2

2 + h23 of the

Hamiltonian H(k) are called Dirac cone.

If h(k) is a linear function of k, the cone in h-spaceform also a cone in k-space.

Page 62: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Dirac monopole

Dirac monopole

The influence of a Dirac cone on the band topology may be studied from thesimple Hamiltonian

H0(k) = Cσ · k, (37)

where C is a constant.

The Berry curvature for this Hamiltonian is

Bn(k) = −i∑n′ 6=n

〈unk|σ|un′k〉 × 〈un′k|σ|unk〉2 |k|2

, (38)

and, consequently

B±(k) = ±1

2

k

|k|3. (39)

Page 63: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Dirac monopole

Dirac monopole

The influence of a Dirac cone on the band topology may be studied from thesimple Hamiltonian

H0(k) = Cσ · k, (37)

where C is a constant.

The Berry curvature for this Hamiltonian is

Bn(k) = −i∑n′ 6=n

〈unk|σ|un′k〉 × 〈un′k|σ|unk〉2 |k|2

, (38)

and, consequently

B±(k) = ±1

2

k

|k|3. (39)

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Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Dirac monopole

Dirac monopole (cont’d)

The Berry curvature B±(k) is similar to magnetic field of a (Dirac) magneticmonopole2.

The singularity in the Berry curvature is also called Dirac monopole.

Back to h-space, k 7→ h(k), the Berry curvature for the Dirac monopole is

B±(k) = ±1

2

h(k)

|h(k)|3J, (40)

where J is determinat of Jacobian matrix.

2P.A.M. Dirac, Proc. Roy. Soc. A 133, 60 (1931).

Page 65: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Dirac monopole

Dirac monopole (cont’d)

The Berry curvature B±(k) is similar to magnetic field of a (Dirac) magneticmonopole2.

The singularity in the Berry curvature is also called Dirac monopole.

Back to h-space, k 7→ h(k), the Berry curvature for the Dirac monopole is

B±(k) = ±1

2

h(k)

|h(k)|3J, (40)

where J is determinat of Jacobian matrix.

2P.A.M. Dirac, Proc. Roy. Soc. A 133, 60 (1931).

Page 66: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Dirac monopole

Dirac monopole (cont’d)

The Berry curvature B±(k) is similar to magnetic field of a (Dirac) magneticmonopole2.

The singularity in the Berry curvature is also called Dirac monopole.

Back to h-space, k 7→ h(k), the Berry curvature for the Dirac monopole is

B±(k) = ±1

2

h(k)

|h(k)|3J, (40)

where J is determinat of Jacobian matrix.

2P.A.M. Dirac, Proc. Roy. Soc. A 133, 60 (1931).

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Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Dirac monopole

Review

Two Bloch Hamiltonian can be topologically equivalents (homotopic) if they sharethe same topological invariants.

For 2D system, the Chern number (a topological invariant) is calculated as

C1n =

1

∫T 2

BZ

d2k · Bn(k), (41)

where Bn = −i∇k × 〈unk|∇k|unk〉.Dirac cone can lead to a non-trivial Chern number.

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Z2 Band Topology

Page 69: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Time Reversal Symmetry and Kramers’ degeneracy theorem

Time Reversal Symmetry (TRS)

Time Reversal Operator

T : r→ r, T : k→ −k (42)

Time Reversal Operator (acting on Hilbert space)

ΘH(k)Θ−1 = H(−k) (43)

Θ is an anti-linear operator.

The operator can be written as

Θ = UK , (44)

where U is a linear operator, and K is complex conjugate operator.

Page 70: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Time Reversal Symmetry and Kramers’ degeneracy theorem

Time Reversal Symmetry (TRS)

Time Reversal Operator

T : r→ r, T : k→ −k (42)

Time Reversal Operator (acting on Hilbert space)

ΘH(k)Θ−1 = H(−k) (43)

Θ is an anti-linear operator.

The operator can be written as

Θ = UK , (44)

where U is a linear operator, and K is complex conjugate operator.

Page 71: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Time Reversal Symmetry and Kramers’ degeneracy theorem

Time Reversal Symmetry (TRS)

Time Reversal Operator

T : r→ r, T : k→ −k (42)

Time Reversal Operator (acting on Hilbert space)

ΘH(k)Θ−1 = H(−k) (43)

Θ is an anti-linear operator.

The operator can be written as

Θ = UK , (44)

where U is a linear operator, and K is complex conjugate operator.

Page 72: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Time Reversal Symmetry and Kramers’ degeneracy theorem

Time Reversal Symmetry (TRS)

Time Reversal Operator

T : r→ r, T : k→ −k (42)

Time Reversal Operator (acting on Hilbert space)

ΘH(k)Θ−1 = H(−k) (43)

Θ is an anti-linear operator.

The operator can be written as

Θ = UK , (44)

where U is a linear operator, and K is complex conjugate operator.

Page 73: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Time Reversal Symmetry and Kramers’ degeneracy theorem

Kramers’ degeneracy theorem

Kramers’ degeneracy theorem

For a time reversal system with n odd fermions, the energy levels are at least doublydegenerate.

Proof. Consider that the |unk〉 and Θ|unk〉 are the same states. Thus

Θ|unk〉 = e iδ|unk〉 ⇒ Θ2|unk〉 = +|unk〉 (45)

But, for odd number of fermions,

Θ2 = −1 (for odd n). (46)

Consequetly, |unk〉 and Θ|unk〉 are degenerate states.

Page 74: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Time Reversal Symmetry and Kramers’ degeneracy theorem

Kramers’ points

For some points {Γα}, α = 1, . . . ,N , called Kramers’ points, the BlochHamiltonian obey

H(Γα) = H(−Γα), ⇒ [Θ,H(Γα)] = 0. (47)

The coordinates of Kramers’ points are

Γα =1

2

(D∑

i=1

ni bi

), ni = 0, 1. (48)

For D-dimensional k-space, there are N = 2D Kramers’ points.

Page 75: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Time Reversal Symmetry and Kramers’ degeneracy theorem

Kramers’ points

For some points {Γα}, α = 1, . . . ,N , called Kramers’ points, the BlochHamiltonian obey

H(Γα) = H(−Γα), ⇒ [Θ,H(Γα)] = 0. (47)

The coordinates of Kramers’ points are

Γα =1

2

(D∑

i=1

ni bi

), ni = 0, 1. (48)

For D-dimensional k-space, there are N = 2D Kramers’ points.

Page 76: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Time Reversal Symmetry and Kramers’ degeneracy theorem

Kramers’ points

For some points {Γα}, α = 1, . . . ,N , called Kramers’ points, the BlochHamiltonian obey

H(Γα) = H(−Γα), ⇒ [Θ,H(Γα)] = 0. (47)

The coordinates of Kramers’ points are

Γα =1

2

(D∑

i=1

ni bi

), ni = 0, 1. (48)

For D-dimensional k-space, there are N = 2D Kramers’ points.

Page 77: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Time Reversal Symmetry and Kramers’ degeneracy theorem

Kramers’ points (cont’d)

Square BZHexagonal BZ

Page 78: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Effective Brillouin Zone (EBZ)

Effective Brillouin Zone (EBZ)

From TRS, the Brillouin Zone is “reduced by half”, by an Effective BrillouinZone (EBZ).

H(k), k ∈ EBZ and ΘH(k)Θ−1, −k ∈ EBZ (49)

EBZ is topologically equivalent to cylinder (C 1 = S1 × [0, 1]).

EBZ is non-closed surface. It is need be closed for topological invariantscalculations. Problem for closing EBZ.

Page 79: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Effective Brillouin Zone (EBZ)

Effective Brillouin Zone (EBZ)

From TRS, the Brillouin Zone is “reduced by half”, by an Effective BrillouinZone (EBZ).

H(k), k ∈ EBZ and ΘH(k)Θ−1, −k ∈ EBZ (49)

EBZ is topologically equivalent to cylinder (C 1 = S1 × [0, 1]).

EBZ is non-closed surface. It is need be closed for topological invariantscalculations. Problem for closing EBZ.

Page 80: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Effective Brillouin Zone (EBZ)

Effective Brillouin Zone (EBZ)

From TRS, the Brillouin Zone is “reduced by half”, by an Effective BrillouinZone (EBZ).

H(k), k ∈ EBZ and ΘH(k)Θ−1, −k ∈ EBZ (49)

EBZ is topologically equivalent to cylinder (C 1 = S1 × [0, 1]).

EBZ is non-closed surface. It is need be closed for topological invariantscalculations. Problem for closing EBZ.

Page 81: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Effective Brillouin Zone (EBZ)

Contraction

Contraction

A contractiona is a function f (θ, λ), with θ ∈ [0, 2π) and λ ∈ [0, 1], such as f (θ, 0) isidentified with the EBZ boundary, and f (θ, 1) = Q (constant).

aJ.E. Moore and L. Balents, Phys. Rev. B 75, 121306 (R) (2007).

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Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Effective Brillouin Zone (EBZ)

Contraction (cont’d)

Two contraction f1(θ, λ) and f2(θ, λ) is homotopic (topologically equivalent) tosphere.

The sphere has “hemispheres correspondence”.

The Chern number onto caps is an even number (2n).

The total Chern number on EBZ is definied up an even number.

Page 83: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Effective Brillouin Zone (EBZ)

Contraction (cont’d)

Two contraction f1(θ, λ) and f2(θ, λ) is homotopic (topologically equivalent) tosphere.

The sphere has “hemispheres correspondence”.

The Chern number onto caps is an even number (2n).

The total Chern number on EBZ is definied up an even number.

Page 84: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Effective Brillouin Zone (EBZ)

Contraction (cont’d)

Two contraction f1(θ, λ) and f2(θ, λ) is homotopic (topologically equivalent) tosphere.

The sphere has “hemispheres correspondence”.

The Chern number onto caps is an even number (2n).

The total Chern number on EBZ is definied up an even number.

Page 85: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Effective Brillouin Zone (EBZ)

Contraction (cont’d)

Two contraction f1(θ, λ) and f2(θ, λ) is homotopic (topologically equivalent) tosphere.

The sphere has “hemispheres correspondence”.

The Chern number onto caps is an even number (2n).

The total Chern number on EBZ is definied up an even number.

Page 86: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Z2 topological invariant

Z2 topological invariant

Contracting the EBZ, we obtain S2EBZ ,

The Chern number integrated over entire S2EBZ (for all occupied states) is

C1 =1

∫S2

EBZ

d2k · B (50)

The Z2 topological invariant is

ν =1

[∫EBZ

d2k · B−∫∂(EBZ)

dk · A

]mod 2, (51)

where A =occ∑n

An and B =occ∑n

Bn.

Page 87: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Z2 topological invariant

Z2 topological invariant

Contracting the EBZ, we obtain S2EBZ ,

The Chern number integrated over entire S2EBZ (for all occupied states) is

C1 =1

∫S2

EBZ

d2k · B (50)

The Z2 topological invariant is

ν =1

[∫EBZ

d2k · B−∫∂(EBZ)

dk · A

]mod 2, (51)

where A =occ∑n

An and B =occ∑n

Bn.

Page 88: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Z2 topological invariant

Z2 topological invariant

Contracting the EBZ, we obtain S2EBZ ,

The Chern number integrated over entire S2EBZ (for all occupied states) is

C1 =1

∫S2

EBZ

d2k · B (50)

The Z2 topological invariant is

ν =1

[∫EBZ

d2k · B−∫∂(EBZ)

dk · A

]mod 2, (51)

where A =occ∑n

An and B =occ∑n

Bn.

Page 89: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Topological Invariants in 3D

Page 90: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonians in 3D

Brillouin Zone in 3D

In 3D, the BZ is topologically equivalent to T 3 = S1 × S1 × S1 (hyper-torus).

The BZ is

T 3BZ =

k = x1

2b1 + y

1

2b2 + z

1

2b3

def= (x , y , z), where −1 ≤ x , y , z ≤ 1︸ ︷︷ ︸

entire BZ

(52)

With the Time-Reversal Symmetry (TRS), the BZ is reduced to EBZ.

EBZ =

(x , y , z);−1 ≤ x , y ≤ 1 and 0 ≤ z ≤ 1︸ ︷︷ ︸“Half” BZ

. (53)

There are 8 Kramers’ points in 3D: Γα, α = 1, . . . , 8.

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Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonians in 3D

Brillouin Zone in 3D

In 3D, the BZ is topologically equivalent to T 3 = S1 × S1 × S1 (hyper-torus).

The BZ is

T 3BZ =

k = x1

2b1 + y

1

2b2 + z

1

2b3

def= (x , y , z), where −1 ≤ x , y , z ≤ 1︸ ︷︷ ︸

entire BZ

(52)

With the Time-Reversal Symmetry (TRS), the BZ is reduced to EBZ.

EBZ =

(x , y , z);−1 ≤ x , y ≤ 1 and 0 ≤ z ≤ 1︸ ︷︷ ︸“Half” BZ

. (53)

There are 8 Kramers’ points in 3D: Γα, α = 1, . . . , 8.

Page 92: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonians in 3D

Brillouin Zone in 3D

In 3D, the BZ is topologically equivalent to T 3 = S1 × S1 × S1 (hyper-torus).

The BZ is

T 3BZ =

k = x1

2b1 + y

1

2b2 + z

1

2b3

def= (x , y , z), where −1 ≤ x , y , z ≤ 1︸ ︷︷ ︸

entire BZ

(52)

With the Time-Reversal Symmetry (TRS), the BZ is reduced to EBZ.

EBZ =

(x , y , z);−1 ≤ x , y ≤ 1 and 0 ≤ z ≤ 1︸ ︷︷ ︸“Half” BZ

. (53)

There are 8 Kramers’ points in 3D: Γα, α = 1, . . . , 8.

Page 93: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonians in 3D

Brillouin Zone in 3D

In 3D, the BZ is topologically equivalent to T 3 = S1 × S1 × S1 (hyper-torus).

The BZ is

T 3BZ =

k = x1

2b1 + y

1

2b2 + z

1

2b3

def= (x , y , z), where −1 ≤ x , y , z ≤ 1︸ ︷︷ ︸

entire BZ

(52)

With the Time-Reversal Symmetry (TRS), the BZ is reduced to EBZ.

EBZ =

(x , y , z);−1 ≤ x , y ≤ 1 and 0 ≤ z ≤ 1︸ ︷︷ ︸“Half” BZ

. (53)

There are 8 Kramers’ points in 3D: Γα, α = 1, . . . , 8.

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Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Bloch Hamiltonians in 3D

Brillouin Zone in 3D (cont’d)

Figure: EBZ in grey and Kramers’ points in red.

Page 95: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Z2 ⊕ 3Z2 theory

6 planes T 2

The EBZ can be sliced in planes with T 2

topology.

There are 6 planes: x = 0, x = 1, y = 0,y = 1, z = 0 and z = 1.

For each plane, there are a topologicalinvariant Z2: x0, x1, y0, y1, z0 and z1.

Page 96: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Z2 ⊕ 3Z2 theory

6 planes T 2

The EBZ can be sliced in planes with T 2

topology.

There are 6 planes: x = 0, x = 1, y = 0,y = 1, z = 0 and z = 1.

For each plane, there are a topologicalinvariant Z2: x0, x1, y0, y1, z0 and z1.

Page 97: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Z2 ⊕ 3Z2 theory

6 planes T 2

The EBZ can be sliced in planes with T 2

topology.

There are 6 planes: x = 0, x = 1, y = 0,y = 1, z = 0 and z = 1.

For each plane, there are a topologicalinvariant Z2: x0, x1, y0, y1, z0 and z1.

Page 98: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Z2 ⊕ 3Z2 theory

Constraints from TRS

For each Dirac monopole (in blue), there areanother Dirac monopole in the same plane byTRS. Thus,

z0 = z1 = 0. (54)

If I choose the EBZ as:{(x , y , z);−1 ≤ y , z ≤ 1 and 0 ≤ x ≤ 1}, then thetopological invariants are: y0, y1, z0 and z1.

There are always 4 independent topologicalinvariants Z2 in 3D. Denoted by ν0, ν1, ν2 and ν3.

Page 99: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Z2 ⊕ 3Z2 theory

Constraints from TRS

For each Dirac monopole (in blue), there areanother Dirac monopole in the same plane byTRS. Thus,

z0 = z1 = 0. (54)

If I choose the EBZ as:{(x , y , z);−1 ≤ y , z ≤ 1 and 0 ≤ x ≤ 1}, then thetopological invariants are: y0, y1, z0 and z1.

There are always 4 independent topologicalinvariants Z2 in 3D. Denoted by ν0, ν1, ν2 and ν3.

Page 100: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Z2 ⊕ 3Z2 theory

Constraints from TRS

For each Dirac monopole (in blue), there areanother Dirac monopole in the same plane byTRS. Thus,

z0 = z1 = 0. (54)

If I choose the EBZ as:{(x , y , z);−1 ≤ y , z ≤ 1 and 0 ≤ x ≤ 1}, then thetopological invariants are: y0, y1, z0 and z1.

There are always 4 independent topologicalinvariants Z2 in 3D. Denoted by ν0, ν1, ν2 and ν3.

Page 101: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Strong and Weak TI

Strong and Weak TI

The topological invariant ν0 is defined for classify TI in strong and weak.

The topological phase is denoted by

(ν0; ν1ν2ν3) (55)

Stacking of several 2D TI is a weak TI.

Only genuine 3D TI are strong (ν0 = 1).

Strong TI are robust by disorder.

By the Bulk-edge correspondence, the topological invariant of bulk is equal tonumber of Dirac cone (mod 2) on surface.

Page 102: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Strong and Weak TI

Strong and Weak TI

The topological invariant ν0 is defined for classify TI in strong and weak.

The topological phase is denoted by

(ν0; ν1ν2ν3) (55)

Stacking of several 2D TI is a weak TI.

Only genuine 3D TI are strong (ν0 = 1).

Strong TI are robust by disorder.

By the Bulk-edge correspondence, the topological invariant of bulk is equal tonumber of Dirac cone (mod 2) on surface.

Page 103: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Strong and Weak TI

Strong and Weak TI

The topological invariant ν0 is defined for classify TI in strong and weak.

The topological phase is denoted by

(ν0; ν1ν2ν3) (55)

Stacking of several 2D TI is a weak TI.

Only genuine 3D TI are strong (ν0 = 1).

Strong TI are robust by disorder.

By the Bulk-edge correspondence, the topological invariant of bulk is equal tonumber of Dirac cone (mod 2) on surface.

Page 104: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Strong and Weak TI

Strong and Weak TI

The topological invariant ν0 is defined for classify TI in strong and weak.

The topological phase is denoted by

(ν0; ν1ν2ν3) (55)

Stacking of several 2D TI is a weak TI.

Only genuine 3D TI are strong (ν0 = 1).

Strong TI are robust by disorder.

By the Bulk-edge correspondence, the topological invariant of bulk is equal tonumber of Dirac cone (mod 2) on surface.

Page 105: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Strong and Weak TI

Strong and Weak TI

The topological invariant ν0 is defined for classify TI in strong and weak.

The topological phase is denoted by

(ν0; ν1ν2ν3) (55)

Stacking of several 2D TI is a weak TI.

Only genuine 3D TI are strong (ν0 = 1).

Strong TI are robust by disorder.

By the Bulk-edge correspondence, the topological invariant of bulk is equal tonumber of Dirac cone (mod 2) on surface.

Page 106: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Strong and Weak TI

Strong and Weak TI

The topological invariant ν0 is defined for classify TI in strong and weak.

The topological phase is denoted by

(ν0; ν1ν2ν3) (55)

Stacking of several 2D TI is a weak TI.

Only genuine 3D TI are strong (ν0 = 1).

Strong TI are robust by disorder.

By the Bulk-edge correspondence, the topological invariant of bulk is equal tonumber of Dirac cone (mod 2) on surface.

Page 107: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Strong and Weak TI

Examples

Theory

Ref: H. Zhang et al., Nature Phys. 5,438-442 (2009).

Experiment (ARPES)

Ref: Y. Xia et al., Nature Phys. 5,398-402 (2009).

Page 108: Introduction to Band Topology and Dirac Cone

Bloch’s Band theory Berry theory Dirac cone Z2 Band Topology Topological Invariants in 3D

Strong and Weak TI

The End