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Berry phases of Bloch electrons ENS Lyon, 9 December 2009 Joel Moore University of California, Berkeley, and Lawrence Berkeley National Laboratory

Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

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Page 1: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Berry phases of Bloch electrons

ENS Lyon, 9 December 2009

Joel MooreUniversity of California, Berkeley,

and Lawrence Berkeley National Laboratory

Page 2: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Thanks

References

Berkeley students:Andrew EssinRoger MongVasudha ShivamoggiCenke Xu (UCB→Harvard→UCSB)

Berkeley postdocs:Pouyan Ghaemi Ying Ran (UCB→Boston College)Ari Turner

Collaborations

DiscussionsBerkeley:Dung-Hai Lee, Joe Orenstein, Shinsei Ryu, R. Ramesh, Ivo Souza, Ashvin VishwanathSpecial thanks also toDuncan Haldane, Zahid Hasan, Charles Kane, Laurens Molenkamp, Shou-Cheng Zhang

Leon Balents, Marcel Franz, Babak Seradjeh, David Vanderbilt, Xiao-Gang Wen

C. Xu and J. E. Moore, PRB 73, 045322 (2006)J. E. Moore and L. Balents, PRB RC 75, 121306 (2007)A. M. Essin and J. E. Moore, PRB 76, 165307 (2007)J. E. Moore, Y. Ran, and X.-G. Wen, PRL 101, 186805 (2008)A. M. Essin, J. E. Moore, and D. Vanderbilt, PRL 102, 146805 (2009)B. Seradjeh, J. E. Moore, M. Franz, PRL 103, 066402

J. E. Moore, Nature Physics 4, 270 (2008)J. E. Moore, Nature Physics 5, 378 (2009)J. E. Moore, Nature 460, 1090 (2009)“An insulator’s metallic side”J. E. Moore, Physics 2, 82 (2009)“Quasiparticles do the twist”

Page 3: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Outline

1. What are Berry phases? How are they connected to topology?What do quantized Berry phases mean for insulators?

3. What do “non-quantized” Berry phases mean for metals?

4. What do “non-quantized” Berry phases mean for insulators?

5. Are there topological phases in 3D materials and no applied field?Yes — “topological insulators”(experimental confirmation 2007 for 2D, 2008 for 3D)What makes an insulator topological?

6. What is the (single-electron) response that the Berry phase describes?

Today: independent electrons (Slater determinants)Friday: interacting particles

Page 4: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Types of orderMuch of condensed matter is about how different kinds of order emerge from interactions between many simple constituents.

Until 1980, all ordered phases could be understood as “symmetry breaking”:

an ordered state appears at low temperature when the system spontaneously loses one of the symmetries present at high temperature.

Examples:Crystals break the translational and rotational symmetries of free space.The “liquid crystal” in an LCD breaks rotational but not translational symmetry.Magnets break time-reversal symmetry and the rotational symmetry of spin space.Superfluids break an internal symmetry of quantum mechanics.

Page 5: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Types of orderIn 1980, the first ordered phase beyond symmetry breaking was discovered.

Electrons confined to a plane and in a strong magnetic field show, at low enough temperature, plateaus in the “Hall conductance”:

force I along x and measure V along y

on a plateau, get

at least within 1 in 109 or so.

What type of order causesthis precise quantization?

Note I: the AC Josephson effect between superconductors similarly allows determination of e/h.Note II: there are also fractional plateaus, about which more later.

!xy = ne2

h

Page 6: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological order

Definition I:

In a topologically ordered phase, some physical response function is given by a “topological invariant”.

What is a topological invariant? How does this explain the observation?

Definition II:

A topological phase is insulating but always has metallic edges/surfaces when put next to vacuum or an ordinary phase.

What does this have to do with Definition I?

“Topological invariant” = quantity that does not change under continuous deformation

What type of order causes the precise quantizationin the Integer Quantum Hall Effect (IQHE)?

Page 7: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological invariantsMost topological invariants in physics arise as integrals of some geometric quantity.

Consider a two-dimensional surface.

At any point on the surface, there are two radii of curvature.We define the signed “Gaussian curvature”

Now consider closed surfaces.

The area integral of the curvature over the whole surface is “quantized”, and is a topological invariant (Gauss-Bonnet theorem).

where the “genus” g = 0 for sphere, 1 for torus, n for “n-holed torus”.

from left to right, equatorshave negative, 0, positive

Gaussian curvature

κ = (r1r2)−1

Mκ dA = 2πχ = 2π(2− 2g)

Page 8: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological invariants

Bloch’s theorem:One-electron wavefunctions in a crystal(i.e., periodic potential) can be written

where k is “crystal momentum” and u is periodic (the same in every unit cell).

Crystal momentum k can be restricted to the Brillouin zone, a region of k-space with periodic boundaries.As k changes, we map out an “energy band”. Set of all bands = “band structure”.

The Brillouin zone will play the role of the “surface” as in the previous example,

which will give us the “curvature”.

Good news:for the invariants in the IQHE and topological insulators,

we need one fact about solids

and one property of quantum mechanics, the Berry phase

ψ(r) = eik·ruk(r)

Page 9: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Berry phaseWhat kind of “curvature” can exist for electrons in a solid?

Consider a quantum-mechanical system in its (nondegenerate)ground state.

The adiabatic theorem in quantum mechanics implies that,if the Hamiltonian is now changed slowly, the system remains in its time-dependent ground state.

But this is actually very incomplete (Berry).

When the Hamiltonian goes around a closed loop k(t) in parameter space, there can be an irreducible phase

relative to the initial state.

Why do we write the phase in this form?Does it depend on the choice of reference wavefunctions?

Michael Berryφ =

A · dk, A = ψk|− i∇k|ψk

Page 10: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Berry phaseWhy do we write the phase in this form?Does it depend on the choice of reference wavefunctions?

If the ground state is non-degenerate, then the only freedom in the choice of reference functions is a local phase:

Under this change, the “Berry connection” A changes by agradient,

just like the vector potential in electrodynamics.

So loop integrals of A will be gauge-invariant,as will the curl of A, which we call the “Berry curvature”.

Michael Berry

φ =

A · dk, A = ψk|− i∇k|ψk

ψk → eiχ(k)ψk

A→ A+∇kχ

F = ∇×A

Page 11: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Berry phase in solidsIn a solid, the natural parameter space is electron momentum.

The change in the electron wavefunction within the unit cell leads to a Berry connection and Berry curvature:

We keep finding more physical properties that are determined by these quantum geometric quantities.

The first was that the integer quantum Hall effect in a 2D crystal follows from the integral of F (like Gauss-Bonnet!). Explicitly,

S. S. Chern

F = ∇×Aψ(r) = eik·ruk(r)

A = uk|− i∇k|uk

n =

!

bands

i

2!

"

d2k

#$

"u

"k1

%

%

%

"u

"k2

&

!

$

"u

"k2

%

%

%

"u

"k1

&'

!xy = ne2

hTKNN, 1982 “first Chern number”

F = ∇×A

Page 12: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

The importance of the edgeBut wait a moment...

This invariant exists if we have energy bands that areeither full or empty, i.e., a “band insulator”.

How does an insulator conduct charge?

Answer: (Laughlin; Halperin)

There are metallic edges at the boundaries of our 2Delectronic system, where the conduction occurs.

These metallic edges are “chiral” quantum wires (one-way

streets). Each wire gives one conductance quantum (e2/h).

The topological invariant of the bulk 2D material just tells how many wires there have to be at the boundaries of the system.

How does the bulk topological invariant “force” an edge mode?

!xy = ne2

h

n=1IQHE

Ordinary insulator

e

Page 13: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

The importance of the edgeThe topological invariant of the bulk 2D material just tells how many wires there have to be at the boundaries of the system.

How does the bulk topological invariant “force” an edge mode?

Answer:

Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change.

But the definition of our “topological invariant” means that, if the system remains insulating so that every band is either full or empty, the invariant cannot change.

∴ the system must not remain insulating.

n=1IQHE

Ordinary insulator

e

(What is “knotted” are the electron wavefunctions)

IQHE Ordinary insulator(or vacuum)

Page 14: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Preview: 2005-present and“topological insulators”

The same idea will apply in the new topological phases discovered recently:

a “topological invariant”, based on the Berry phase, leads to a nontrivial edge or surface state at any boundary to an ordinary insulator or vacuum.

However, the physical origin, dimensionality, and experiments are all different.

n=1IQHE

Ordinary insulator

e

We discussed the IQHE so far in an unusual way. The magnetic field entered only through its effect on the Bloch wavefunctions (no Landau levels!).

This is not very natural for a magnetic field.It is ideal for spin-orbit coupling in a crystal.

Page 15: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

But what does F do?It is useful to get some intuition about what the Berry F means in simpler physical systems first.

Its simplest consequence is that it modifies the semiclassical equations of motion of a Bloch wavepacket:

a “magnetic field” in momentum space.

The anomalous velocity results from changes in the electron distribution within the unit cell: the Berry phase is connected to the electron spatial location.

Example I: the anomalous Hall effect in itinerant magnets

Example II: helicity-dependent photocurrents in optically active materials(Berry phases in nonlinear transport)

dxa

dt=

1

∂n(k)∂ka

+ Fabn (k)

dkb

dt.

Page 16: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

But what does F do?Example I: the anomalous Hall effect in itinerant magnets

An electrical field E induces a transverse current through the anomalous velocity if F is nonzero averaged over the ground state.

A nonzero Hall current requires T breaking; microscopically this follows since time-reversal symmetry implies

Smit’s objection: in steady state the electron distribution is stationary; why should the anomalous velocity contribute at all?

(In a quantum treatment, the answer is as if dk/dt resulted only from the macroscopic applied field, which is mostly consistent with experiment)

dxa

dt=

1

∂n(k)∂ka

+ Fabn (k)

dkb

dt.

Fab(k) = −Fab(−k).

Page 17: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

But what does F do?To try to resolve the question of what the semiclassical equation means:

Example II: helicity-dependent photocurrents in optically active materials(Berry phases in nonlinear transport)

In a T-symmetric material, the Berry phase is still importantat finite frequency. Consider circular polarization:

The small deviation in the electron distribution generated by the electrical field gives an anomalous velocity contribution that need not average to zero over the wave.

kx

ky

dk/dt

eEv1

v0

Page 18: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Smit vs. LuttingerThe resulting formula has 3 terms, of which one is “Smit-type” (i.e., nonzero even with the full E) and two are “Luttinger-type”.

(JEM and J. Orenstein, 2009). The full semiclassical transport theory of this effect was given by Deyo, Golub, Ivchenko, and Spivak (arXiv, 2009).

We believe that the circularly switched term actually explains a decade of experiments on helicity-dependent photocurrents in GaAs quantum wells.

Bulk GaAs has too much symmetry to allow the effect; these quantum wells show the effect because the well confinement breaks the symmetry(“confinement-induced Berry phase”).

β =∂F

∂kx

jdc =βne3

22

11/τ2 + ω2

iω(ExE∗

y − EyE∗x)x

+1/τ(ExE∗y + EyE∗

x)x + |Ex|2y.

Page 19: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Confinement-induced Berry phases

Bulk GaAs has too much symmetry to allow the effect; these quantum wells show the effect because the well confinement breaks the symmetry(“confinement-induced Berry phase”).

Our numerics and envelope approximation suggesta magnitude of 1 nA for incident power 1W in a (110) well, which is consistent with experiments by S. D. Ganichev et al. (Regensburg).

Only one parameter of GaAs is needed to describe F at the Brillouin zone origin:symmetries force

(0,0,a)

(a/2

,-a/2

,0)

(a)

(b)

(Å3)

!!!k

Width (Å)10 15 20 25 30 35

0.0

0.2

0.4

0.6

0.8

1.0

1.2

Envelope approx.0.5 eV triangular0.25 eV Gaussian0.5 eV square0.25 eV square

F = λkx(k2

y − k2z), ky(k2

z − k2x), kz(k2

x − k2y)

, λ ≈ 410A3

Page 20: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

What about non-magnetic insulators?Electrical polarization: another simple Berry phase in solids(Will eventually give another picture of topological insulators)

Sum the integral of A over bands: in one spatial dimension,

Intuitive idea: think about the momentum-position commutation relation,

There is an ambiguity of e per transverse unit cell, the “polarization quantum.”

Note: just as dA=F is a “closed form” and very useful to define Chern number,in 4 dimensions there is a “second Chern form”

Fact from cohomology:Odd dimensions have Chern-Simons forms that have a “quantum” ambiguity;Even dimensions have Chern forms that are quantized.

A = uk|− i∇k|uk ≈ r

P =

v

e

dq

2πuv(q)| − i∂q|uv(q)

Page 21: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

The “quantum spin Hall effect”Spin-orbit coupling appears in nearly every atom and solid. Consider the standard atomic expression

For a given spin, this term leads to a momentum-dependent force on the electron, somewhat like a magnetic field.

The spin-dependence means that the time-reversal symmetry of SO coupling (even) is different from a real magnetic field (odd).

It is possible to design lattice models where spin-orbit coupling has a remarkable effect: (Murakami, Nagaosa, Zhang 04; Kane, Mele 05)

spin-up and spin-down electrons are in IQHE states, with opposite “effective magnetic fields”.

n=1IQHE

Ordinary insulator

e

HSO = λL · S

2D topologicalinsulator

Ordinary insulator

Page 22: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

The “Chern insulator” and QSHE

Haldane showed that although broken time-reversal is necessary for the QHE, it is not necessary to have a net magnetic flux.

Imagine constructing a system (“model graphene”) for which spin-up electrons feel a pseudofield along z, and spin-down electrons feel a pseudofield along -z.

Then SU(2) (spin rotation symmetry) is broken, but time-reversal symmetry is not:

an edge will have (in the simplest case)a clockwise-moving spin-up modeand a counterclockwise-movingspin-down mode(Murakami, Nagaosa, Zhang, ’04)

Topologicalinsulator

Ordinary insulator

e

e

Page 23: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

The spin-independent part consists of a tight-binding termon the honeycomb lattice, plus possibly a sublattice staggering

The first term gives a semimetal with Dirac nodes (as in graphene).

The second term, which appears if the sublattices are inequivalent (e.g., BN), opens up a (spin-independent) gap.

When the Fermi level is in this gap, we have an ordinary band insulator.

Example: Kane-Mele-Haldane model for graphene

Ly

Lx

d1

d2

!ei"x

!ei"x+i"y!ei"y

!

H0 = !t!

!ij"

c†i!cj! + !v

!

i

"ic†i!ci!

!i =

!

1 if i in A sublattice

!1 if i in B sublattice

Page 24: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

The spin-independent part consists of a tight-binding termon the honeycomb lattice, plus possibly a sublattice staggering

The spin-dependent part contains two SO couplings

The first spin-orbit term is the key: it involves second-neighbor hopping (vij is ±1 depending on the sites) and Sz. It opens a gap in the bulk and acts as the desired “pseudofield” if large enough.

Claim: the system with an SO-induced gap is fundamentally different fromthe system with a sublattice gap: it is in a different phase.It has gapless edge states for any edge (not just zigzag).

Example: Kane-Mele-Haldane model for graphene

H! = i!SO

!

""ij##

vijc†is

zcj + i!R

!

"ij#

c†i (s ! dij)zcj

H0 = !t!

!ij"

c†i!cj! + !v

!

i

"ic†i!ci!

vij ! (d1 " d2)z

Page 25: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Example: Kane-Mele-Haldane model for graphene

Without Rashba term (second SO coupling), have two copies of Haldane’s IQHE model. All physics is the same as IQHE physics.

The Rashba term violates conservation of Sz--how does this change the phase? Why should it be stable once up and down spins mix?

H! = i!SO

!

""ij##

vijc†is

zcj + i!R

!

"ij#

c†i (s ! dij)zcj

H0 = !t!

!ij"

c†i!cj! + !v

!

i

"ic†i!ci!

Page 26: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Invariants in T-invariant systems?If a quantum number (e.g., Sz) can be used to divide bands into “up” and “down”, then with T invariance,one can define a “spin Chern integer” that counts the number of Kramers pairs of edge modes:

n! + n" = 0, n! ! n" = 2ns

Page 27: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

What about T-invariant systems?If a quantum number (e.g., Sz) can be used to divide bands into “up” and “down”, then with T invariance,one can define a “spin Chern number” that counts the number of Kramers pairs of edge modes:

For general spin-orbit coupling, there is no conserved quantity that can be used to classify bands in this way, and no integer topological invariant.

Instead, a fairly technical analysis shows

1. each pair of spin-orbit-coupled bands in 2D has a Z2 invariant (is either “even” or “odd”), essentially as an integral over half the Brillouin zone;

2. the state is given by the overall Z2 sum of occupied bands:if the sum is odd, then the system is in the “topological insulator” phase

n! + n" = 0, n! ! n" = 2ns

Page 28: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Z2 topological invariants (results)Each Kramers band pair of a time-reversal-invariant insulator has a Z2 invariant (“odd” or “even”) analogous to the integer Chern number, even when no additional quantities are conserved. (Moore and Balents, PRB RC ‘07)For the “odd” class, there must be spin-orbit coupling and broken site inversion.Consider a 2D Brillouin torus.

In terms of the Berry field A and flux F, the topological invariant is (Fu and Kane, ‘07)

Where does this come from? A and F generalize the single-band formulas

A is a “Berry connection in momentum space”.Ordinary Chern number is integral of F over entire Brillouin zone.

D =1

2!

!

"

!(EBZ)dk · A!

#

EBZ

d2kF

$

mod 2

A = !i"!(k)|#k!(k)$ F = (!k " A)z

Page 29: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Z2 topological invariantsThe Bloch Hamiltonians at points in the Brillouin zone related by time-reversal are conjugate to each other, not necessarily identical.

The set of independent points (the effective Brillouin zone or EBZ) is then shown in (b) below: it has the topology of a cylinder with special boundary conditions.

CB

A

B

A

C

(a) (b)

H(!k) = TH(k)T!1

Page 30: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Z2 topological invariantsAn abstract definition of the ordinary Chern number (Avron, Seiler, Simon):

if C is the space of Bloch Hamiltonians, then mappings from the Brillouin torus to C are classified by one integer for each band, with a zero sum rule.Why?

CB

A

B

A

C

(a) (b)

!2(C) = Zn!1

, !1(C) = 0.

!n(M) = equivalence classes of maps from Sn to M

Page 31: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Analogy for approachBut the EBZ is an open manifold. How can we “make it into a closed manifold”?

Our approach is similar to a standard construction in 1+1-dimensional QFT: the Wess-Zumino term in the nonlinear sigma model into a nonabelian Lie group G:

Here the Wess-Zumino term is computed using an arbitrary contraction of g in the unit ball B3 that agrees with the specified configuration on the boundary S2.

Such contractions always exist because

Different contractions can be topologically inequivalent: combining two balls B3 gives a sphere S3, and the difference between two contractions is classified byThe path integral is contraction-independent if k is an integer.

π2(G) = 0

π3(G) = Z

SWZ = − 2πk

48π2

B3µνλK(g−1∂µg, [g−1∂νg, g−1∂λg])

S0 = − k

S2K(g−1∂µg, g−1∂µg)

Page 32: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Z2 topological invariantsKey idea for the T-invariant case:Consider all possible ways of “contracting” a mapping from the EBZ to one from a sphere, to define a Chern integer.

There are an infinite number of possible ways, differing by all even Chern numbers.The symmetries at the two circular boundaries of the cylinder mean that contractions have more symmetry in their interior than the EBZ:two contractions can be combined to give a sphere with even Chern numbers.

Q0

B

A

C

A

C

Q0

B(a)

(b)Q0

A

C

Q0

A

C

f1 f2

Q

QQ

Q

Q=

D =1

2!

!

"

!(EBZ)dk · A!

#

EBZ

d2kF

$

mod 2

The flux part counts the contribution from the EBZ itself, which is unambiguous. The field part counts the contribution from the contraction, which is ambiguous by even integers.The sum is always an integer.

Page 33: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Experimental signaturesKey physics of the edges: robust to disorder and hence good charge conductors .

The topological insulator is therefore detectable by measuring the two-terminal conductance of a finite sample: should see maximal 1D conductance.

In other words, spin transport does not have to be measured to observe the phase.

Materials recently proposed: Bi, InSb, strained Sn (3d), HgTe (2d) (Bernevig, Hughes, and Zhang, Science (2006); experiments by Molenkamp et al. (2007) see an edge, but G ~ 0.3 G0)

G =2e2

h

Page 34: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Experiment on 1D edge of 2D state

HgTe (2d) (Bernevig, Hughes, and Zhang, Science (2006); experiments by Molenkamp et al. (2007) see an edge, but G ~ 0.3 G0 in long samples (13 micron); at 1 micron length see expected value.

Page 35: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Redefining the Berry phasewith disorder

!2

!1

Suppose that the parameters in H do not have exact lattice periodicity.

Imagine adding boundary phases to a finite system, or alternately considering a “supercell”. Limit of large supercells -> disordered system.

Effect of boundary phase is to shift k: alternate picture of topological invariant is in terms of half the (Φ1,Φ2) torus.

Can define Chern parities by pumping, analogous to Chern numbers, and study phase diagram w/disorder

Page 36: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

In addition to the supercell argument, we can give a physical definition of the topological insulator in a disordered system as follows: (mathematical content is the same)

Pumping and interactions

!

B

A

C

A

C B

Stage I:insert flux, breaking T

!

!x = 0 !x = !

Stage II:complete the cycle

!y = 0

!y = !

Page 37: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Spin-orbit T=0 phase diagram (fix spin-independent part):instead of a point transition between ordinary and topological insulators, have a symplectic metal in between.

We compute this numerically using Fukui-Hatsugai algorithm (PRB 2007) to compute invariants in terms of boundary phases (A. Essin and JEM, PRB 2007). See also Obuse et al., Onoda et al. for other approaches with higher accuracy->scaling exponents for transitions; Ryu et al. for theory.

The 2D topological insulator with disorder

!2

!1

!r

!s

Topological insulator

Ordinary insulator

IQHE-class

transition

2D spin-orbit (symplectic) metal

Symplectic metal-insulator transitions

Page 38: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

What about higher dimensions?

The 2D conclusion is that band insulators come in two classes:ordinary insulators (with an even number of edge modes, generally 0)“topological insulators” (with an odd number of Kramers pairs of edge modes, generally 1).

What about 3D? The only 3D IQHE states are essentially layered versions of 2D states:Mathematically, there are three Chern integers:

Cxy (for xy planes in the 3D Brillouin torus), Cyz, Cxz

There are similar layered versions of the topological insulator, but these are not very stable; intuitively, adding parities from different layers is not as stable as adding integers.

However, there is an unexpected 3D topological insulator state that does not have any simple quantum Hall analogue. For example, it cannot be realized in any model where up and down spins do not mix!

General description of invariant from JEM and L. Balents, PRB RC 2007.The connection to physical consequences in inversion-symmetric case (proposal of BiSb, Dirac surface state): Fu, Kane, Mele, PRL 2007. See also R. Roy, arXiv.

Page 39: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Build 3D from 2DNote that only at special momenta like k=0 is the “Bloch Hamiltonian” time-reversal invariant: rather, k and -k have T-conjugate Hamiltonians. Imagine a square BZ:

CB

A

B

A

C

(a) (b)

H(!k) = TH(k)T!1

“effective BZ”In 3D, we can take the BZ to be a cube (with periodic boundary conditions):

think about xy planes

2 inequivalent planeslook like 2D problem

kz = !/a

kz = !!/a

kz = 0

3D “strong topological insulators” go from an 2D ordinary insulator to a 2D topological insulator (or vice versa) in going from kz=0 to kz=±π/a.

This is allowed because intermediate planes have no time-reversal constraint.

Page 40: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

What about 3D?There is no truly 3D quantum Hall effect. There are only layered versions of 2D.(There are 3 “topological invariants”, from xy, yz, and xz planes.)

Trying to find Kane-Mele-like invariants in 3D leads to a surprise: (JEM and Balents, 2007)

1. There are still 3 layered Z2 invariants, but there is a fourth Z2 invariant as well.

Hence there are 24 =16 different classes of band insulators in 3D.

2. The nontrivial case of the fourth invariant is fully 3D and cannot be realized in any model that doesn’t mix up and down spin.

In 2D, we could use up-spin and down-spin copies to make the topological case.

There is a (technical) procedure to compute the fourth invariant for any band structure.

3. There should be some type of metallic surface resulting from this fourth invariant, and this is easier to picture...

Different constructions: (Fu-Kane-Mele; Roy)

Page 41: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological insulators in 3D1. This fourth invariant gives a robust 3D “strong topological insulator” whose metallic surface state in the simplest case is a single “Dirac fermion” (Fu-Kane-Mele, 2007)

2. Some fairly common 3D materials might be topological insulators! (Fu-Kane, 2007)

Claim:Certain insulators will always have metallic surfaces with strongly spin-dependent structure

How can we look at the metallic surface state of a 3D material to test this prediction?

kx

ky

E

EF

kx

ky

(a) (b)

Page 42: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

ARPES of topological insulatorsImagine carrying out a “photoelectric effect” experiment very carefully.

Measure as many properties as possible of the outgoing electronto deduce the momentum, energy, and spin it had while still in the solid.

This is “angle-resolved photoemission spectroscopy”, or ARPES.

Page 43: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

ARPES of topological insulatorsFirst observation by D. Hsieh et al. (Z. Hasan group), Princeton/LBL, 2008.

This is later data on Bi2Se3 from the same group in 2009:

The states shown are in the “energy gap” of the bulk material--in general no states would be expected, and especially not the Dirac-conical shape.

Page 44: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

STM of topological insulatorsThe surface of a simple topological insulator like Bi2Se3 is “1/4 of graphene”:it has the Dirac cone but no valley or spin degeneracies.

Scanning tunneling microscopy image (Roushan et al., Yazdani group, 2009)

STM can see the absence of scattering within a Kramers pair (cf. analysis of superconductors using quasiparticle interference, D.-H. Lee and S. Davis).

kx

ky

E

EF

kx

ky

(a) (b)

Page 45: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Summary so far1. There are now at least 3 strong topological insulators that have been seen experimentally (BixSb1-x, Bi2Se3, Bi2Te3).

2. Their metallic surfaces exist in zero field and have the predicted form.

3. These are fairly common bulk 3D materials (and also 3He B).

4. The temperature over which topological behavior is observed can extend up to room temperature or so.

What is the physical effect or response that defines a topological insulator beyond single electrons?

(What are they good for?)

What’s left

Page 46: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Electrodynamics in insulators

We know that the constants ε and μ in Maxwell’s equations can be modified inside an ordinary insulator.

Particle physicists in the 1980s considered what happens if a 3D insulator creates a new term (“axion electrodynamics”, Wilczek 1987)

This term is a total derivative, unlike other magnetoelectric couplings.

The angle θ is periodic and odd under T.

A T-invariant insulator can have two possible values: 0 or π.

∆LEM =θe2

2πhE · B =

θe2

16πhαβγδFαβFγδ.

Page 47: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological responseIdea of “axion electrodynamics in insulators”

there is a “topological” part of the magnetoelectric term

that is measured by the orbital magnetoelectric polarizability

and computed by integrating the “Chern-Simons form” of the Berry phase

(Qi, Hughes, Zhang, 2008; Essin, JEM, Vanderbilt 2009)This integral is quantized only in T-invariant insulators, but contributes in all insulators.

∆LEM =θe2

2πhE · B =

θe2

16πhαβγδFαβFγδ.

θe2

2πh=

∂M

∂E=

∂E

∂BH =

∂P

∂B

θ = − 14π

BZd3k ijk Tr[Ai∂jAk − i

23AiAjAk]

Page 48: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Orbital magnetoelectric polarizabilityActually, computing dP/dB in a fully quantum treatment reveals that there are additional terms in general.

(Essin, Turner, JEM, Vanderbilt, to appear)

Not all of these are pure Berry phases, but the linear response can still be expressed purely in terms of the unperturbed wavefunctions.

Not inconsistent with previous results:in topological insulators, time-reversal means that only the Berry phase term survives.

Possible applications of orbital magnetoelectric switching...

3

II. GENERAL FEATURES OF ORBITAL

MAGNETOELECTRIC RESPONSE

In this section we discuss properties of the magneto-

electric response and its explicit expression, which will

be derived in later sections.

The orbital magnetoelectric susceptibility, as shown

below, can be expressed in terms of the periodic part

of the Bloch wave functions, ulk, and the energies Elk

describing the electronic structure of a crystal:

αij = (αI)

ij + αCSδ

ij

(αI)ij =

n occm unocc

BZ

d3k

(2π)3

Re

unk|eri⊥k|umkumk|e(vk × r⊥k)j − e(r⊥k × vk)j − 2i∂H

k/∂B

j |unkEnk − Emk

(4a)

αCS = − e2

2 abc

BZ

d3k

(2π)3tr

Aa

∂bAc − 2i

3AaAbAc

. (4b)

Here the Berry connection Aann(k) = iunk|∂kaunk is

a matrix on the space of occupied wave functions unk

and ∂a

= ∂ka . The velocity operator is related to the

Bloch Hamiltonian, vi(k) =

1∂

iHk, while the opera-

tor ri⊥k is defined as the derivative ∂

iPk of the projec-

tion P onto the occupied bands at k. This operator is

closely related to the position operator; its matrix ele-

ments between the occupied and unoccupied bands are

umk|ri⊥|unk = unk|ri

⊥|umk∗ = −iumk|ri|unk, while

its matrix elements between two occupied bands or two

unoccupied bands vanish. Finally, the opoerator H

is

introduced for generality, as discussed in Section IV A;

it vanishes for the continuum Schrodinger Hamiltonian

and for tight-binding Hamiltonians whose hoppings are

all rectilinear, and so will be ignored for most of the anal-

ysis that follows.

In fact, αI is very similar to what one would expect

based on simple response theory. An electric dipole mo-

ment, er, is induced when a magnetic field is applied to

the magnetic dipole momente4 (r× v− v× r) (this form

takes care of the operator ordering). The main difference

is that αI excludes terms of the form m|v|nn|r|n, for

example, that include matrix elements of r between pairs

of occupied or unoccupied bands (the subscript stands for

“interband”). Related to this exclusion is the fact that

the correct expression differs from that naıve prediction

by a factor of 2; in some sense αCS , the Chern-Simons

part, can be viewed as making up the difference. In the

remainder of this section we will briefly review the known

properties of αCS ; discuss some properties of the new

term αI , in particular the conditions that will cause it to

vanish; and argue that very little distinguishes these two

terms physically.

Page 49: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

We can make many analogies between the Berry phases that determine magnetoelectric polarizability, and the Berry-phase theory of polarization (King-Smith and Vanderbilt, ’93)

A difference: magnetoelectric polarizability results from twisting of bands around each other (i.e., includes off-diagonal parts), unlike polarization

Polarization Magnetoelectric

polarizability

dmin 1 3

Observable P = ∂H/∂E Mij = ∂H/∂Ei∂Bj

= δijθe2/(2πh)

Quantum ∆P = eR/Ω ∆M = e2/h

Surface q = (P1 −P2) · n σxy = (M1 − M2)

EM coupling P ·E ME ·BCS form Ai ijk(AiFjk + iAiAjAk/3)

Chern form ij∂iAj ijklFijFkl

*

Page 50: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological responseMany-body definition: the Chern-Simons or second Chern formula does not directly generalize. However, the quantity dP/dB does generalize:a clue is that the “polarization quantum” combines nicely with the flux quantum.

So dP/dB gives a bulk, many-body test for a topological insulator.

(Essin, JEM, Vanderbilt 2009)

∆P

B0=

e/Ωh/eΩ

= e2/h.

e2

h

= contact resistance in 0D or 1D= Hall conductance quantum in 2D= magnetoelectric polarizability in 3D

Page 51: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Picturing the CS formA question: why don’t you just draw a topological band structure?

The “simplest” topological insulator where this Chern-Simons type of integral is nonzero breaks time-reversal and has only one occupied band.

It comes from making a band structure based on the “Hopf map” from the unit sphere in 4d to the unit sphere in 3d. (JEM, Ran, Wen 08)

θ =12π

BZd3k ijk Tr[Ai∂jAk − i

23AiAjAk]

S3 → S2

z†σiz = ni

|z|2 = 1→ n2 = 1

The “real” T-invariant topological insulator has ≥2 occupied bands; harder to draw.

Page 52: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

For next time1. Understanding this response more macroscopically

2. Other symmetry classes

3. Collective physics enabled by topological insulators:

A. topological exciton condensationB. transport in an interacting Majorana chain

surfacestates

gates

STI

b)

monopole

a) !! "!

Page 53: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Correlation effects and emergent particles in 3D topological insulators

ENS Lyon, 11 December 2009

Joel MooreUniversity of California, Berkeley,

and Lawrence Berkeley National Laboratory

Page 54: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Thanks

References

Berkeley students:Andrew EssinRoger MongVasudha ShivamoggiCenke Xu (UCB→Harvard→UCSB)

Berkeley postdocs:Pouyan Ghaemi Ying Ran (UCB→Boston College)Ari Turner

Collaborations

DiscussionsBerkeley:Dung-Hai Lee, Joe Orenstein, Shinsei Ryu, R. Ramesh, Ivo Souza, Ashvin VishwanathSpecial thanks also toDuncan Haldane, Zahid Hasan, Charles Kane, Laurens Molenkamp, Shou-Cheng Zhang

Leon Balents, Marcel Franz, Babak Seradjeh, David Vanderbilt, Xiao-Gang Wen

C. Xu and J. E. Moore, PRB 73, 045322 (2006)J. E. Moore and L. Balents, PRB RC 75, 121306 (2007)A. M. Essin and J. E. Moore, PRB 76, 165307 (2007)J. E. Moore, Y. Ran, and X.-G. Wen, PRL 101, 186805 (2008)A. M. Essin, J. E. Moore, and D. Vanderbilt, PRL 102, 146805 (2009)B. Seradjeh, J. E. Moore, M. Franz, PRL 103, 066402

J. E. Moore, Nature Physics 4, 270 (2008)J. E. Moore, Nature Physics 5, 378 (2009)J. E. Moore, Nature 460, 1090 (2009)“An insulator’s metallic side”J. E. Moore, Physics 2, 82 (2009)“Quasiparticles do the twist”

Page 55: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Outline1. Understanding the 3D TI more macroscopically

2. A note on other symmetry classes

3. Collective physics enabled by topological insulators:

A. topological exciton condensationB. transport in an interacting Majorana chain

Applications: quantum computing & energysurfacestates

gates

STI

b)

monopole

a) !! "!

Page 56: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

“Macroscopic” definition of 3D TI

1. A 3D insulator that has metallic surfaces with an odd number of Dirac cones.

2. A 3D insulator that, when an infinitesimal T-breaking perturbation is applied, develops half-integer Hall effect on its surfaces (1/4 of graphene).

Intro: Can we observe #2, at least numerically?

Goal of talk: What can we do with it?

∆LEM =θe2

2πhE · B =

θe2

16πhαβγδFαβFγδ.

Page 57: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

“Macroscopic” definition of 3D TI2. A 3D insulator that, when an infinitesimal T-breaking perturbation is applied, develops half-integer Hall effect on its surfaces (1/4 of graphene).

Experimental challenge is mostly that the surface density is typically high (by 2DEG standards), meaning that many Landau levels are filled.

Hence even a clear gap may be hard to see in transport, and the difference between N and N+1/2 may be small.

One motivation for observing this: magnetoelectric coupling

∆LEM =θe2

2πhE · B =

θe2

16πhαβγδFαβFγδ.

Page 58: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

“Macroscopic” definition of 3D TIOne motivation for observing this: magnetoelectric coupling

Actually this term is neither new nor especially large in topological insulators--in Cr2O3, a value π/24 has been measured from dP/dB.

All that is special about topological insulators is that the magnetoelectric coupling is

1. quantized2. purely orbital3. “topological”, i.e., from surface states

∆LEM =θe2

2πhE · B =

θe2

16πhαβγδFαβFγδ.

Page 59: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

59

BiFeO3 , a high-T multiferroicCoupled polar (P), antiferromagnetic

(L), and ferromagnetic (M) orders

BiFeO3 BULK

• Rhombohedral R3c: a=3.96Å, α=89.46º• No inversion symmetry, but “close”•TN~ 650K; TC ~ 1120K• Spiral, canted AFM order • P ~ 6 µC/cm2

BiFeO3 FILM on (100) SrTiO3

• Tetragonal distortion a=3.91Å, c=4.06Å• Homogeneous, canted AFM order• Giant ME effect: P ~ 90 µC/cm2

P

M=M1+M2

L=M1-M2

Figs. courtesy R. Ramesh

Electrical coupling to fast (AF) spin waves

Page 60: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Orbital magnetoelectric polarizabilityWhat might orbital contributions be useful for?

The magnitude is probably not quite as large as in some “correlated” multiferroics.

But an issue with ionic motions, as take place in most strong ferroelectrics, is that they are slow and induce fatigue.

Purely orbital magnetoelectric switching might be more useful in practice.

Actually, a different way to use topological insulators for switching was recently proposed:

3

II. GENERAL FEATURES OF ORBITAL

MAGNETOELECTRIC RESPONSE

In this section we discuss properties of the magneto-

electric response and its explicit expression, which will

be derived in later sections.

The orbital magnetoelectric susceptibility, as shown

below, can be expressed in terms of the periodic part

of the Bloch wave functions, ulk, and the energies Elk

describing the electronic structure of a crystal:

αij = (αI)

ij + αCSδ

ij

(αI)ij =

n occm unocc

BZ

d3k

(2π)3

Re

unk|eri⊥k|umkumk|e(vk × r⊥k)j − e(r⊥k × vk)j − 2i∂H

k/∂B

j |unkEnk − Emk

(4a)

αCS = − e2

2 abc

BZ

d3k

(2π)3tr

Aa

∂bAc − 2i

3AaAbAc

. (4b)

Here the Berry connection Aann(k) = iunk|∂kaunk is

a matrix on the space of occupied wave functions unk

and ∂a

= ∂ka . The velocity operator is related to the

Bloch Hamiltonian, vi(k) =

1∂

iHk, while the opera-

tor ri⊥k is defined as the derivative ∂

iPk of the projec-

tion P onto the occupied bands at k. This operator is

closely related to the position operator; its matrix ele-

ments between the occupied and unoccupied bands are

umk|ri⊥|unk = unk|ri

⊥|umk∗ = −iumk|ri|unk, while

its matrix elements between two occupied bands or two

unoccupied bands vanish. Finally, the opoerator H

is

introduced for generality, as discussed in Section IV A;

it vanishes for the continuum Schrodinger Hamiltonian

and for tight-binding Hamiltonians whose hoppings are

all rectilinear, and so will be ignored for most of the anal-

ysis that follows.

In fact, αI is very similar to what one would expect

based on simple response theory. An electric dipole mo-

ment, er, is induced when a magnetic field is applied to

the magnetic dipole momente4 (r× v− v× r) (this form

takes care of the operator ordering). The main difference

is that αI excludes terms of the form m|v|nn|r|n, for

example, that include matrix elements of r between pairs

of occupied or unoccupied bands (the subscript stands for

“interband”). Related to this exclusion is the fact that

the correct expression differs from that naıve prediction

by a factor of 2; in some sense αCS , the Chern-Simons

part, can be viewed as making up the difference. In the

remainder of this section we will briefly review the known

properties of αCS ; discuss some properties of the new

term αI , in particular the conditions that will cause it to

vanish; and argue that very little distinguishes these two

terms physically.

Page 61: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Spin torque with 3D TIs(Garate and Franz, 2009)

At the 3D topological insulator surface, a charge current always has a spin density.

So an electrical current, producing a density, might be used to switch a ferromagnet deposited on top of the 3D TI. (here the TI modifies the ferromagnet rather than vice versa).

This gives a “spin torque” device that is easily reversible--just change current direction.

kx

ky

E

EF

kx

ky

(a) (b)

Page 62: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Axion E&M and surface currents

This explains a number of properties of the 3D topological insulator when its surfaces become gapped by breaking T-invariance:

Magnetoelectric effect:applying B generates polarization P, applying E generates magnetization M)

∆LEM =θe2

2πhE · B =

θe2

16πhαβγδFαβFγδ.

Topological insulator slab

E j

E j

B

σxy = (n +θ

2π)e2

h

σxy = (m− θ

2π)e2

h

Page 63: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

To compute this, use layer-resolved conductance

Can define layer-resolved Chern number using a real-space projection operator:

Computation for 20-layer slab in topological insulator phaseChanging boundary condition switches by an integer times e2/h.

C =12π

d2k

ν

Fννxy =

i

d2k

ν

ij∂iuν∂juν =i

d2k Tr [Pij∂iP∂jP] .

C(n) =i

d2k Tr

Pij(∂iP)Pn(∂jP)

.

5 10 15 20 n

!0.3!0.2!0.1

0.10.20.3C!n"

Page 64: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Equivalence of four properties measuring theta:(mainly bulk dP/dB and surface Hall conductance)

The magnetoelectric polarizability θ (in units of e2/2πh). The curve is ob-tained from the second Chern integral. The filled squares are computed by theChern-Simons form. The open squares are the slopes of P vs. B. The remainingpoints are obtained from layer-resolved σxy.

!!

!!!"

"

!

!

!

!!4 !!2 3!!4 !"

!!4!!23!!4!#

Page 65: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

New particles from interactions:Majorana fermions

I. Correlation and new particles:There are two ways to make “Majorana fermions” from topological insulators:

Method I: start from a different “universality class”, a topological superconductor driven by interactions (3He is an example)

Method II: build the Majorana fermions using “ordinary” topological insulators and “normal” superconductors

2. Can make a new type of vortex just by biasing a thin film of topological insulator.

Page 66: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological quantum computing

A classical computer carries out logical operations on classical “bits”.

A quantum computer carries out unitary transformations on “qubits” (quantum bits).

A remarkable degree of protection from errors can be obtained by implementing these via braiding of non-Abelian quasiparticles.

A relevant quasiparticle in many non-Abelian states is a “Majorana fermion”:it is its own quasiparticleand is “half” of a normal fermion.

Page 67: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Background“Advanced” topological order and quantum computing

A history of theoretical efforts to understand quantum Hall physics:

1. Integer plateaus are seen experimentally (1980).

Theorists find profound explanation why integers will always be seen.Their picture involves nearly free electrons with ordinary fermionic statistics.

2. Fractional plateaus are seen experimentally (1983).Eventually many fractions are seen, all with odd denominators.

Theorists find profound explanation why odd denominators will always be seen.The picture (Laughlin) involves an interacting electron liquid that hosts “quasiparticles” with fractional charge and fractional “anyonic” statistics.

3. A plateau is seen when 5/2 Landau levels are filled (1989).Theorists find profound explanation: an interacting electron liquid that hosts “quasiparticles” with non-Abelian statistics.

What does fractional or non-Abelian statistics mean? Why is 2D special?

(Essin, JEM, Vanderbilt 2009)

Page 68: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Statistics in 2D

What makes 2D special for statistics? (Leinaas and Myrheim, 1976)

Imagine looping one particle around another to detect their statistics. In 3D, all loops are equivalent.

In 2D, but not in 3D, the result can depend on the “sense” of the looping (clockwise or counterclockwise).Exchanges are not described by the permutation group, but by the “braid group”.

The effect of the exchange on the ground state need not square to 1. “Anyon” statistics: the effect of an exchange is neither +1 (bosons) or -1 (fermions), but a phase.

eiθ

Most fractional quantum Hall states, such as the Laughlin state,host “quasiparticles” with anyonic statistics.

Page 69: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Degenerate ground statesA beautiful wavefunction is likely to describe the ground state at filling 5/2.(Greg) Moore and Read, 1990.

The 5/2 state becomes degenerate when quasiparticles are added. Braiding quasiparticles can act as a matrix on the space of ground states.

Mathematically, the braid group with more than 3 particles is “non-Abelian”: different exchanges can be described by non-commuting matrices.

The non-Abelian statistics at 5/2 may have been seen experimentally earlier this year.(Willett et al., 2009)

Page 70: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Approach I: directThere is a classification of all single-particle topological insulators and superconductors.Schnyder et al., 2008; Kitaev, 2008.

There are 10 possible symmetries that a disordered single-particle insulator or superconductor can have.In every dimension, 5 of these classes have nontrivial topological states.

Examples: IQHE in 2D; TIs in 2D and 3Dp+ip superconductor in 2D3He in 3D

(In most of these cases, there is a response that defines the phase with interactions.)

In some of these topological phases, such as the p+ip superconductor, there is known to be a “Majorana fermion” excitation in the core of a vortex.

What is this fermion? How can we detect it?

Page 71: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Majorana fermionWe can imagine splitting one ordinary spinless fermion (a “Dirac fermion”) into two Majorana fermions as

Then these fermions square to a constant, rather than 0, and are their own antiparticles.

We can always rewrite Dirac fermions in this form, but when is it physically meaningful?

Answer will be: The Bogoliubov-de Gennes equation for quasiparticles in a superconductor sometimes has special solutions describing Majorana fermions.

We will focus here on localized Majorana fermions near defects or boundaries.

γ1 =c + c†√

2, γ2 = i

c† − c√2

Page 72: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Majorana fermionWe can imagine splitting one ordinary spinless fermion (a “Dirac fermion”) into two Majorana fermions as

Then these fermions square to a constant, rather than 0, and are their own antiparticles.

We can always rewrite Dirac fermions in this form, but when is it physically meaningful?

Answer will be: The Bogoliubov-de Gennes equation for quasiparticles in a superconductor sometimes has special solutions describing Majorana fermions.

We will focus here on localized Majorana fermions near defects or boundaries.

γ1 =c + c†√

2, γ2 = i

c† − c√2

Page 73: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Most of the special physics of the Moore-Read state can be understood from BdG theory of a p+ip superconductor (Read and Green, 1999).

BdG effectively doubles the spectrum of a single-particle Hamiltonian (and has an overall 1/2 to fix this):

There is an artificial symmetry in BdG that exchanges E and -E.

Vortices in this superconductor trap a zero-energy state. Zero energy is special as this state is its own symmetry pair. A single state at zero energy is automatically a Majorana fermion.

Idea of Bogoliubov-de Gennes equation

doubled (BdG) spectrumbands can become degenerate away from E=0, and share Z2

E=0

H =12v†

Gv

-E

+E

0

Page 74: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Consider the edge of a 2D TI. This becomes gapped when a magnetic field is applied.

At a magnetic field domain wall, there is a trapped E=0 Dirac fermion (with e/2 offset).

A superconductor also opens a gap. So where does the trapped state go? By symmetry, it splits into 2 Majorana fermions:

Problem: no obvious way to braid Majorana fermions along a 1D line and observe statistics

Proposal I: Majorana fermion built from 2D TI

FM↓FM↑

SC FM↓FM↑

Page 75: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Majorana states

SC

TI

Proposal II: Majorana from 3D TIand quantum computing

It turns out that the core of a magnetic vortex in a two-dimensional “p+ip” superconductor can have a Majorana fermion. (But we haven’t found one yet.)

However, a superconducting layer with this property exists at the boundary between a 3D topological insulator and an ordinary 3D superconductor (Fu and Kane, 2007).

(Recent theoretical work by Sau et al. (Das Sarma) suggests that one doesn’t even need a topological insulator. Another piece of breaking news: FQHE observed in graphene.)

Page 76: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Proximity effect and quantum computing

A natural question is whether the surface of a Z2 topological insulator is stable beyond single-particle models.

Time-reversal-breaking perturbations (coupling to a magnetic material or magnetic field) certainly can gap the surface modes.

What about coupling to a superconductor?

Idea: an s-wave proximity effect term

couples within the low-energy chiral fermion, and hence gives a “spinless” p-wave superconductor (Fu and Kane, PRL 2007).

E=μ

H =

k

(∆ck↑c−k↓ + h.c.)

kx

ky

Page 77: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Proximity effect and quantum computing

Claim: proximity effect s-wave SC and the 2D surface of 3D topological insulator can open up the gap at a single surface, leading to a layer of topological SC at the boundary of the conventional s-wave SC.

(This is a bit surprising, as it implies we can go from ordinary to topological insulator via an s-wave SC without closing the gap, but it works.)

E

10 20 30 40 50 60

0.2

0.4

0.6

0.8

1.0

SC TI

surface state profile

Page 78: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Note that most of the special physics of the Moore-Read state can be understood from BdG theory of a p+ip superconductor (Read and Green, 1999).

Why doesn’t there have to be an edge between s-wave superconductor and topological insulator? Recall that BdG effectively doubles the spectrum of a single-particle Hamiltonian (with an overall 1/2 to fix this):

Challenge: how could we realistically tell that this had been accomplished?

Hope for quantum computing?

doubled (BdG) spectrumbands can become degenerate away from E=0, and share Z2

E=0

H =12v†

Gv

n p

-1

-1+1

-1

-1+1

Page 79: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

There is a good understanding, thanks to recent work, of the signatures of tunneling through two Majoranas (Bolech and Demler; Nilsson, Akhmerov, Beenakker).

(e.g., dI/dV and noise signatures: both nonequilibrium)

What about many-Majorana physics? What about disorder?

Many-Majorana physics

Random interacting quantum systems are hard, except in 1D:there is a trick to solve a one-dimensional chain, even for nonequilibrium transport, even when the randomness is very strong.

Idea: real-space renormalization group, viewed as a set of unitary transformations to decouple “random singlets”

Asymptotically exact near the random quantum critical point;the random Majorana hopping is automatically at this QCP.

Page 80: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Many-Majorana physics(V. Shivamoggi, G. Refael, and JEM, in preparation)

Imagine superconducting and ferromagnetic regions randomly distributed along the quantum spin Hall edge.

At each SC/FM boundary there is a local Majorana fermion.

The Hamiltonian if the SC and FM regions are large is H=0. When tunneling becomes possible, we realize the random Majorana hopping problem,

This is a critical c=1/2 delocalization problem. (Roughly, SC and FM have a duality like h and J in quantum Ising: both are U(1) because one direction of the FM just shifts the chemical potential and can be neglected.)

It is very similar to the c=1 particle-hole symmetric Dirac chain (Balents and Fisher, 1997, and references therein) which maps onto the XX spin chain.

SC SC SCFMFMSC FM

H = i

j

tjγjγj+1 = random quantum Ising (Bonesteel and Yang, PRL 2006)

Page 81: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Tunneling Signatures

Shot noise has been identified as a signature of the Majorana nature of scatterers (Bolech and Demler, 2007; Nilsson et al., 2008)

Tunneling through a Majorana chain:

At the critical point, we expect to see a peak in the current because there is some probability that Majorana fermions separated by large distances are paired with non-negligible energy.

Left lead Right lead

tL tR

tRtL

! "!!!#"!! ! "!$

% & %" ! #$"!##"!" ! ""$

Page 82: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

RG as a Unitary Transformation

Each decimation step of the RG can be rewritten as a unitary transformation that decouples the high energy term from the rest of the Hamiltonian. (Refael and Fisher, 2004)

How do the other terms of the tunneling Hamiltonian transform?

H0

eiSH0e-iS

After all steps, H0 eiU H0e-iU

!!"!

# "#!!#!$!

!# ##!

$#

Page 83: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Tunneling through multiple Majorana pairs

The leads now couple to the entire chain:

(a)

(b)

Tunneling through each pair occurs independently of the others:

Each pair contributes to the current:1. Lead lead couples to left Majorana

fermion with amplitude aj.2. The two Majorana fermions interact

with some energy Jij.3. Right lead couples to right Majorana

fermion with amplitude bj.

L R

Page 84: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Is there an easier experiment that would show correlation effects in TIs?

H = i

j

tjγjγj+1 = random quantum Ising (Bonesteel and Yang, PRL 2006)

Quantities we can predict:Specific heat

Cv ∼1

ln3(ΩIT )

Entanglement entropy

Transport:convolution of random RG result with Nilsson et al.

SL =ln 26

log2L.

Page 85: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Correlated phases from TI surfacesIdea of exciton condensation:

(Conventional) Superconductivity occurs when we have identical spin-up and spin-down electron Fermi surfaces and a weak attractive interaction.

Exciton condensation occurs when we haveidentical electron and hole Fermi surfaces andan attractive interaction between electronsand holes, i.e., Coulomb repulsion.

Why is this difficult? Need an applied fieldor some other mechanism to keep electronsand holes from recombining.

Alternately can study nonequilibriumcondensation before electrons & holes recombine (Butov, Chemla et al.)

surfacestates

gates

STI

b)

monopole

a) !! "!

Page 86: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Correlated phases from TI surfacesAn “exciton condensate” can be made between holes on one surface of a 3D TI film and electrons on the other surface. This state is loosely similar to that proposed for graphene bilayers (Bistritzer, Su, MacDonald; Seradjeh, Weber, Franz), but with different topological features.(Seradjeh, JEM, Franz, arxiv)

Experimentally, a possible advantage is thatone can use the two surfaces of a single TI,rather than having to insert a dielectricof constant thickness through two layersof graphene.

A vortex in the exciton order parametertraps an exact zero-energy mode (nota Majorana) with an offset fractional charge±e/2 relative to the zero-vortex state.

(In graphene, inter-valley mixing moves this mode away from E=0.Here, particle-hole symmetry is sufficient to stabilize it.)

surfacestates

gates

STI

b)

monopole

a) !! "!

Page 87: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Correlated phases from TI surfacesFormally, exciton condensation is like BCS in the “particle-hole” channel: continuously connected to BEC of excitons.

Key: unscreened interlayer Coulomb repulsion, with no tunneling.

Generated gap in weak-coupling limit:

Need large voltage V and coupling U, withchemical potentials symmetric around Diracpoint. New materials (e.g., Ca doping) allowthe Dirac point to be moved out of the bulkbandgap.

Transition temperature is of same order or higher than in graphene. Goal: first stable exciton condensate outside quantum Hall regime.

surfacestates

gates

STI

b)

monopole

a) !! "!

HMF = H0 + (ψ†1Mψ2 + h.c.) +

1U

Tr(M†M),

m ≈ 2√

V Λe−Λ2/UV

Page 88: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Application II: Energy

Thermoelectric materials can convert waste heat to electrical energy.The 3D topological insulators discovered so far are all useful thermoelectric materials!

Page 89: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological insulators and energyThermoelectric cooling: refrigeration with no moving parts.

Most consumer thermoelectrics use Bi2Te3, a topological insulator.

Cuisinart CWC-600 6-Bottle Private Reserve Wine Cellar 6 Bottle Wine Cooler:FRYS.com #: 5049475Protect the integrity of your favorite wines with the Cuisinart Private Reserve Wine Cellar. This elegant countertop cellar chills wines using thermoelectric cooling technology, which eliminates noise and vibration. Eight temperature presets for a variety of reds and whites keep up to 6 bottles of wine at the perfect serving temperature. Designed in the style of full-size cellars, with a stainless steel door and interior light, the Cuisinart Private Reserve is a beautiful way to display wines and champagnes.

Page 90: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological insulators and energyWhat makes a material a good thermoelectric?The “thermoelectric figure of merit” ZT determines Carnot efficiency:

ab

V

T1 T2

a

S = V / ∆T“Seebeck coefficent”

kTSZT σ2

=Bi2Te3

Page 91: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological insulators and energySo why aren’t thermoelectrics everywhere? Will they be soon?

“(Gordon) Moore’s Law”: (1965-present)The number of transistors on an IC doubles every 2 years

“Moore’s Law” of thermoelectrics has an even longer history:the figure of merit doubles every 50 years

Majumdar, Science 303, 777 (2004)

Hicks & Dresselhaus, PRB (1993)

DiSalvo, Science (1999)

Mahan et al, Phys. Today (1997)

Page 92: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological insulators and energyBig question: Does knowing that Bi2Te3 has these unusual surface states help with thermoelectric applications?

Yes, at least for low temperature (10K - 77K), where ZT=1 is not currently possible.We hope to double ZT.(P. Ghaemi, R. Mong, JEM, in preparation)

Thermoelectrics work best when the band gap is about 5 times kT.Gap of Bi2Te3 = 1800 K = 0.15 eV.

Idea: in a thin film, the top and bottom surfaces of a topological insulator “talk” to each other, and a controllable thickness-dependent gap opens.(Q.-K. Xue et al., 2009)

Key: good thickness and Fermi-level control

Similar to bandgap engineering by gating in bilayer graphene (Y. Zhang et al., 2009)

Fermi-level controlin crystals (Hsieh et al., 2009)

Page 93: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Topological insulators and energy

Challenge: Conductivity is determined by the crossover from antilocalization (when mixing is unimportant) to ordinary 2D Anderson class (once mixing is present and surfaces combine).

Idea: in a thin film, the top and bottom surfaces of a topological insulator “talk” to each other, and a controllable thickness-dependent gap opens.(Q.-K. Xue et al., 2009)

Key: good thickness and Fermi-level control

Page 94: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Conclusions1. “Topological insulators” exist in two and three dimensions in zero magnetic field.

2. The 3D topological insulator generates a quantized magnetoelectric coupling

3. These insulators might be useful for either quantum computing (a big leap), by realizing Majorana fermions, or improved thermoelectrics (not so big a leap).

∆LEM =θe2

2πhE · B =

θe2

16πhαβγδFαβFγδ.

Page 95: Berry phases of Bloch electrons · 2010-01-07 · Imagine a “smooth” edge where the system gradually evolves from IQHE to ordinary insulator. The topological invariant must change

Thanks

References

Berkeley students:Andrew EssinRoger MongVasudha ShivamoggiCenke Xu (UCB→Harvard→UCSB)

Berkeley postdocs:Pouyan Ghaemi Ying Ran (UCB→Boston College)Ari Turner

Collaborations

DiscussionsBerkeley:Dung-Hai Lee, Joe Orenstein, Shinsei Ryu, R. Ramesh, Ivo Souza, Ashvin VishwanathSpecial thanks also toDuncan Haldane, Zahid Hasan, Charles Kane, Laurens Molenkamp, Shou-Cheng Zhang

Leon Balents, Marcel Franz, Babak Seradjeh, David Vanderbilt, Xiao-Gang Wen

C. Xu and J. E. Moore, PRB 73, 045322 (2006)J. E. Moore and L. Balents, PRB RC 75, 121306 (2007)A. M. Essin and J. E. Moore, PRB 76, 165307 (2007)J. E. Moore, Y. Ran, and X.-G. Wen, PRL 101, 186805 (2008)A. M. Essin, J. E. Moore, and D. Vanderbilt, PRL 102, 146805 (2009)B. Seradjeh, J. E. Moore, M. Franz, PRL 103, 066402

J. E. Moore, Nature Physics 4, 270 (2008)J. E. Moore, Nature Physics 5, 378 (2009)J. E. Moore, Nature 460, 1090 (2009)“An insulator’s metallic side”J. E. Moore, Physics 2, 82 (2009)“Quasiparticles do the twist”