Berry Phase Phenomena

Optical Hall effect

and
Ferroelectricity as quantum charge pumping

Naoto Nagaosa
CREST, Dept. Applied Physics, The University of Tokyo

M. Onoda, S. Murakami, and N. Nagaosa, Phys. Rev. Lett. 93, 083901 (2004)
S. Onoda, S. Murakami, and N. Nagaosa, Phys. Rev. Lett. 93, 167602 (2004)

Berry phase
M.V.Berry, Proc. R.Soc. Lond. A392, 45(1984)

X ( X1, X 2 , , , X n )
i t (t ) H ( X (t )) (t )
H ( X )n ( X ) En ( X ) n ( X )

H (X )

Hamiltonian,

parametersadiabatic change

X2

eigenvalue and eigenstate for each parameter set X

Transitions between eigenstates are forbidden
during the adiabatic change
Projection to the sub-space of Hilbert space
constrained quantum system

X1

(T ) e

i n ( C ) ( i / ) 0 dtEn ( X ( t ))

(0)

n (C ) i dX n ( X ) | X n ( X )
C

dX An ( X ) dS Bn ( X )
C

Berry Phase

Connection of the wavefunction in the parameter space Berry phase curvature

Electrons with
constraint
E

doubly
degenerate
positive
energy
states.

Dirac electrons

Bloch electrons

Projection onto positive energy state Projection onto each band

Spin-orbit interaction
Berry phase
as SU(2) gauge connection
of Bloch wavefunction
Spin Hall Effect (S.C.Zhangs talk)

Anomalous Hall Effect (Haldanes talk)

Berry Phase Curvature in k-space

nk (r ) e ikr unk (r )

Bloch wavefucntion

An (k ) i unk | k | unk

Berry phase connection in k-space

xi ri An (k ) i ki An (k )

covariant derivative

[ x, y ] i ( k x Any (k ) k y Anx (k )) iBnz (k )

Curvature in k-space

dx(t )
k
V k x
V
i[ x, H ] x i[ x, y ]
Bnz (k )
dt
m
y m
y

Anomalous Velocity and

Anomalous Hall Effect

kz

| unk k
k | unk

kx

ky

Non-commutative Q.M.

Duality between
Real and Momentum Spaces

d r (t ) n ( k ) d k (t )

Bn (k )

dt
dt
k k- space curvature

d k (t ) V ( r ) d r (t )

B( r )

dt
dt
rspace
curvature
r

Degeneracy point
Monopole in momentum space

SrRuO3
Z.Fang

Fermats principle and principle of least action

Goal
Path 4

Path 5

Path 3
Path 2

Start

Path 1

Every path has a specific optical path length or action.

Fermat : stationary optical path length actual trajectory
Least action : stationary action actual trajectory
Searching stationary value ~ Solving equations of motion

Trajectories of light and particle

Geometrical Optics [turn in the direction of larger n(rc )]

d d
n(rc ) rc n(rc )

ds
ds

n(rc ) : refractive indexn(rc )ds dt

Newton' s equation of motion [turn in the directon of lower V (rc )]

d d
m
rc V (rc )
dt dt

m : mass, V (rc )
: potential
What determine the equations of motion?
Historically, experiments and observations
Any fundamental principles?
(Fermats principle, principle of least action)

Geometrical phase (Berry phase)

Principle of least action
Phase factor Equations of motion
Berry phase
Wave functions with spin obtain
geometrical phase in adiabatic motion.
Although light has spin,
no effect of Berry phase in conventional
geometrical optics.
Topological effects (wave optics)
in trajectory of light (geometrical optics)
wave packet

Effective Lagrangian of wave packet

d
d
L i H variaton i
H
dt
dt

W : wave packet centered at position rc and momentum kc

d
Leff W i H W variation EOM of rc and kc
dt

R : position operator

Condition rc W R W Leff
R. Jackiw and A. Kerman,Phys. Lett. 71A, 581 (1979)
A. Pattanayak and W.C. Schieve, Phys. Rev. E 50, 3601 (1994)

Light in weakly inhomogeneous medium

( r ) 2 ( r ) 2

H dr
E (r )
H (r ) , (r ) and (r ) : slowly varying
2
2

( r ) 2 ( r ) 2
RH d r r
E (r )
H (r )
2
2

dk

W
w
(
k

k
,
r
)
z
a
c c c k 0 ,
3
(2 )

zc 1

ak : creation operator of circularly polarized photon

W RH W
Condition for the center of gravity rc
W H W

Leff

kc rc kc ( zc | k | zc ) i ( zc | z c ) v(rc ) kc
c

zc

1
| zc )
, v(rc )

, k

(rc ) (rc )
zc

iek k e k

Equations of motion of optical packet

rc : position , kc : momentum

v(rc ) : light speed

| zc ) : state of polarization

k : Berry connection

k : Berry curvature

k iek ke k

ek : polarization vector

k
k k k i k k 3 3
k
Neglecting polarization
Conventional geometrical optics

Anomalous velocity

kc
rc v(rc ) kc ( zc | k | zc )
c
kc

kc [v(rc )]kc

| z c ) ikc k | zc )
c

Berry Phase in Optics

Propagation of light and rotation of polarization plane in the helical optical
fiber

Chiao-Wu, Tomita-Chiao, Haldane, Berry

| zcout t [e i z in , e i z in ]
dk [ k ] dS k [ k ]
S

Spin 1 Berry phase

Reflection and refraction at an interface

Shift perpendicular to both of
incident axis and gradient of
refractive index

No polarization

Circularly polarized

Conservation law of angular momentum

EOM are derived under the condition of weak inhomogeneity.
Application to the case with a sharp interface?

Conservation of total angular momentum as a photon

jz

kc
rc kc ( zc | 3 | zc )
kc

j zI j zT ,

const.
z

j zI j zR

I : incident, T : transmitted, R : reflected

( zcA | 3 | zcA ) cos A ( zcI | 3 | zcI ) cos I

y
kc sin I
A
c

AT ,R

Comparison with numerical simulation

V0: light speed in lower medium

V1: light speed in upper medium
Solid and broken lines are derived
by the conservation law.
and are obtained by numerically solving
Maxwell equations.

Photonic crystal and Berry phase

Shift in reflection and refraction
Small Berry curvature
small shift of the order of wave length

Knowledge about electrons in solids

Periodic structure without a symmetry
Bloch wave with Berry phase

Photonic crystal without a symmetry

Bloch wave of light with Berry phase
Enhancement of optical Hall effect ?!

Example of 2D photonic crystal without

inversion symmetry

Wave in periodic structure -- Bloch wave --

Meaning of the height of periodic

structure
Electron : electrical potential
Light
: (phase) velocity of light

Energy

Bloch wave
An intermediate between
traveling wave and standing wave

Strength of periodic structure

For low energy Bloch wave

Large amplitude at low point
Small amplitude at high point

Wave packet of Bloch wave (right Fig.)

Red line
= periodic structure + constant incline
http://ppprs1.phy.tu-dresden.de/~rosam/kurzzeit/main/bloch/bo_sub.html

Dielectric function and photonic band

We shall consider wave ribbons with kz=0.

Note: Eigenmodes with kz=0 are classified into TE or TM mode.

Berry curvature of optical Bloch wave

For simplicity, we consider the case in which
the spin degeneracy is resolved due to periodic structure.

1
2 (r )
(r ) : moderate modulation,
(r )
(r )

Enk : nth band energy in the case of (r ) 1

c

E
H

1
E
H
nk i unk kunk unk kunk
2

nk k nk

unEk, H : Bloch functions of nth band

E : electric field, H : magnetic field
Leff

kc rc kc nk (rc ) Enk
c

Berry curvature in photonic crystal

Berry curvature is large at the region where

separation between adjacent bands is small.

c.f. Haldane-Raghu
Edge mode

Trajectory of wave packet in photonic crystal

Superimposed modulation around x = 0
instead of a boundary
Note:
The figure is the top view of 2D photonic
crystal. Periodic structure is not shown.

rc ( xc ) k Enk kc k ,
c
c
c

kc [ ( xc )]Enk ,
c

( x) : superimposed modulation
1
2 ( x)

(r )
(r )

Large shift of several dozens of

lattice constant

classical theory of polarization

Averaged polarization at r
P (r ) f (r R )p(R )

Charge determines pol.

Ionicity is needed !!

Polarization of a unit cell R

p(R )

dr '
d

R d

(r ' ) u R d dr ' R d (r ' )r '

polarization due to
displacements of rigid ions

+ Ionic polarization

It is not well-defined in general.

It depends on the choice of a unit cell.
It is not a bulk polarization.

quantum theory of polarization

Covalent ferroelectric: polarization without ionicity
r is ill-defined for extended Bloch wavefunction

P is given by the amount of the charge transfer

due to the displacement of the atoms
Integral of the polarization current along the path C determines P

i
dP (Q) e (2 ) 3 d 3k nl (k ) l dl r l dl l r l
i l
A dQ
l l
i
3
3
A 2e (2 ) d k nl (k ) Im
i

k
Q
l
P is path dependent in general !!

Ferroelectricity in Hydrogen Bonded

Supermolecular Chain
S.Horiuchi et al 2004

Polarization is huge compared with

the classical estimate

Pcl e u
*

e* 0.01e

Pobs 30 Pcl (e / e* )
Neutral and covalent

Ferroelectricity in Phz-H2ca
S. Horiuchi @ CERC et al.

With F. Ishii @ERATO-SSS

First-principles calculation
Isolated molecule 0.1 C/cm2 (too small !)
Hydrogen bond
( covalency)

Polarization as a Berry phase

( )

2e

(2 ) 3

occ

( )
( )
dk
dk
dk
u
u
kn

k kn
n1

0.7
0.6

Bulk

Ps( C/cm )

0.5

0.4
0.3
0.2
0.1

Isolated
molecule

Large polarization with covalency

0
0.06 0.07 0.08 0.09 0.1 0.11 0.12 0.13

Asymmetry in Bond length O-H (ang.)

Geometrical meaning of polarization

in
1D
two-band
model

H (k , Q) 0 (k , Q) h (k , Q)

0 (k , Q) h3 (k , Q) h1 (k , Q) ih2 (k , Q)

) 0 (k , Q) h3 (k , Q)
h1 (k , Q) ih2 (k , Q
with Pauli matrices
dP : Solid angle of the ribon

dP A(Q) dQ

dk h
h
A (Q) e
h

Generalized Born charge

Strings as trajectories of band-crossing points

flux density: B (Q) Q A(Q)

3 dk
dh dh
dh
B

4 2
dQ dk dQ

1. B (Q) 0 only along strings (trajectories of band-crossing

points) with k in [aa

h (k , Q) 0
-function singularity along strings (monopoles in k space)

2. Divergence-free B (Q ) 0
3. Total flux of the string is quantized to be an integer

(Pontryagin index, or wrapping number): [c.f. Thouless]

Q
B

dQ A(Q)

dSQ B(Q) n

C[/a,/a]

Band-crossing point

Biot-Savart law, asymptotic behavior

& charge pumping
Transverse part of the polarization current A

t
dQ' (Q Q' )
Biot-Savart law:

A (Q)
L 4 | Q Q ' |3
Asymptotic behavior (leading order in 1/Eg)

Strength ~ 1/Eg
A(Q )
Direction: same as a magnetic field
created by an electric current

L : strings
string

Eg

Quantum charge pumping due to cyclic change of Q around a string

C dQ A(Q) SdSQ B(Q) n
ne

Specific models
Simplest physically relevant models

H ck , 0 (k ) , ' h (k , Q) , ' ck , '
k

h (k , Q) f (k ) g (k )Q

Different choices of f and g

Geometrically different
structures of strings B
and polarization current A

Quantum Charge Pumping in Insulator

Ez

or
Pressure

Electron(charge)flow

Ex
Large polarization even in the neutral molecules

Dimerized charge-ordered systems

TTF-CA
(TMTTF)2PF6
(DI-DCNQI)2Ag

TTF-CA: polarization perpendicular to

displacement of molecules.
triggers the ferroelectricity.

Conclusions
Generalized equation of motion for geometrical optics taking
into account the Berry phase assoiciated with the
polarization
Optical Hall Effect and its enhancement in photonic crystal
Covalent (quantum) ferroelectricity is due to Berry phase
and associated dissipationless current
Geometrical view for P in the parameter space
- non-locality and Biot-Savart law
Possible charge pumping and D.C. current in insulator
Ferroelectricity is analogous to the quantum Hall effect

Motivation of this study

Goal
: dissipationless functionality of electrons in solids
Key concept : topological effects of wave phenomena of electrons
Example of our study
Topological interpretation of quantization in quantum Hall effect

Intrinsic anomalous Hall effect and spin Hall effect

due to the geometrical phase of wave function

What is corresponding phenomena in optics?

Geometrical optics : simple and useful for designing optical devices
Wave optics : complicated but capable of describing specific phenomena for wave
Topological effects of wave phenomena
Photonic crystals as media with eccentric refractive indices
Extended geometrical optics

Polarization and Angular momentum

Rotation and angular momentum
Rotation of center of gravity

Rotation around center of gravity

http://www.expocenter.or.jp/shiori/
ugoki/ugoki1/ugoki1.html

Polarization and spin

Linear S = 0

Right circular S = +1

Left circular S = -1

http://www.physics.gla.ac.uk/Optics/projects/singlePhotonOAM/

Action and quantum mechanics

Quantum mechanics
Wave-particle duality
Everything is described by a wave function.
Action in classical mechanics ~ phase factor of wave function
Searching a trajectory of classical particle
~ Solving a wave function approximately

Path integral

(t , r ) dr0 e iS1 e iS 2 e iS3 (t0 , r0 ) dr0 e iSst (t0 , r0 )

S n : action for the n th trajectory ( path)

a funtional of the n th trajectory which connects r0 and r in (t t0 )

Sst : stationary action actual trajectory of classical particle
Similar relation holds between geometrical and wave optics.

Wave and geometrical optics,

Quantum and classical mechanics
Wave optics Eikonal
Fermats principle Geometrical optics
Optical path, Action
~ Phase factor
Quantum mechanics Path integral
Principle of least action Classical mechanics

Roughly speaking,
Trajectory is determined by the phase factor of a wave function.

Hall effect of 2DES in periodic potential

E : electric field

B : magnetic field
0 p

B 2 ez B
a q
a : lattice constant

nk i unk kunk

nk k nk
unk : Bloch function

rc k Enk [B] kc nk
c
c
c

kc eE erc B

e
Enk [B] Enk

B Lnk
c
c
c
2m

Lnk : OAM around rc

c

Lnk m k unk ( Enk H 0 ) k unk

c
c
c
c
c
c

H 0 : Hamiltonian with E B 0

M.-C. Chang and Q. Niu, Phys. Rev. B 53, 7010 (1996)

Optical path length and action

Light in media with inhomogeneous refractive index
Optical path length
= Sum of (refractive index x infinitesimal length) along a trajectory
= Time from start to goal
Light speed = 1/(refractive index)
Time for infinitesimal length = (infinitesimal length) / (light speed)

Particle in inhomogeneous potential

Action
= Sum of (kinetic energy potential) x (infinitesimal time) along a trajectory

Point
Optical path length and action can be defined for any trajectories,
regardless of whether realistic or unrealistic.

Why is it interpreted as the optical Hall effect ?

Transverse shift of light in reflection and refraction at an interface
The shift is originated by the anomalous velocity.
(Light will turn in the case of moderate gradient of refractive index.)

Hall effect of electrons

Classical HE
: Lorentz force
QHE
: anomalous velocity (Berry phase effect)
Intrinsic AHE
: anomalous velocity (Berry phase effect)
Intrinsic spin HE : anomalous velocity (Berry phase effect)
[Spin HE by Murakami, Nagaosa, Zhang, Science 301, 1378 (2003)]

QHE, AHE, spin HE ~ optical HE

NOTE: spin is not indispensable in QHE

Earlier Studies
1. Suggestion of lateral shift in total reflection (energy flux of evanescent light)
F. I. Fedorov, Dokl. Akad. Nauk SSSR 105, 465 (1955)
2. Theory of total and partial reflection (stationary phase)
H. Schilling, Ann. Physik (Leipzig) 16, 122 (1965)
3. Theory and experiment of total reflection (energy flux of evanescent light )
C. Imbert, Phys. Rev. D 5, 787 (1972)
4. Different opinions
D. G. Boulware, Phys. Rev. D 7, 2375 (1973)
N. Ashby and S. C. Miller Jr., Phys. Rev. D 7, 2383 (1973)
V. G. Fedoseev, Opt. Spektrosk. 58, 491 (1985)

Ref. 1 and 3 explain the transverse shift in analogy with Goos-Hanchen effect (due
to evanescent light). However, Ref.2 says that the transverse shift can be observed
in partial reflection.

Summary
Topological effects in wave phenomena of electrons
What are the corresponding phenomena of light?
Equations of motion of optical packet with internal rotation
Deflection of light due to anomalous velocity
QHE, Intrinsic AHE, Intrinsic spin HE ~ Optical HE
Photonic crystal without inversion symmetry
Optical Bloch wave with Berry curvature (internal rotation)
Enhancement and control of optical HE in photonic crystals

Future prospects and challenges

Tunable photonic crystal optical switch?

Transverse shift in multilayer film precise measurement
Optical Hall effect of packet with internal OAM (Sasada)
Localization in photonic band with Berry phase
Surface mode of photonic crystal and Berry curvature
Magnetic photonic crystal Chiral edge state of light (Haldane)
Effect of absorption (relation with Rikken-van Tiggelen effect)
Quasi-photonic crystal (rotational symmetry) rotation Berry
phase? (Sawada et al.)
Phononic crystal sonic Hall effect

Internal Angular momentum of light

Spin angular momentum
Linear S=0

Right circular S=1

Left circular S=-1

Orbital angular momentum

L=0

L=1

L=2

L=3

http://www.physics.gla.ac.uk/Optics/projects/singlePhotonOAM/

The above OAM is interpreted as internal angular momentum when

optical packets are considered.
More generally, Berry phase internal rotation ?

Rotation of optical packet

Energy current : PE dr E (r ) H (r )
Rotation of eneryg current :

J E dr r E (r ) H (r ) LE S E



LE rc PE , S E dr (r rc ) E (r ) H (r )

Momentum : P dr D(r ) B(r )

Angular momentum :

J dr r D(r ) B(r )



D(r ) (r ) E (r ), B(r ) (r ) H (r )

W : wave packet centered at rc

W S E W is very similar to Berry curvature

Non-zero Berry curvature ~ Rotation

Periodic structure without inversion
rotating wave packet

H2ca

Molecular orbitals(extended Huckel

Cl

Phz

LUMO
N

1.2 eV

Cl

O
LUMO

3.1eV

4t ~ 0.12 eV

1.7eV
2.88eV

4t ~ 0.2 eV

HOMO

~1 eV

HOMO
(B2g)

O
Cl

H
O

(B1g)
(Ag)
N

O
H

Cl
O

Transfer integral t is estimated by = ES,

E~10eV S: overlap integral

Transfer integrals along the stacking direction b-axis

-2.2 (x10-3)
LUMO
-1.4

Phz stack

1.5

HOMO
-5.2
LUMO

H2ca stack

2.7
-4.9

5.5

HOMO
-1.6

Polarization is huge compared with

the classical estimate

Pcl e*u Pobs 30 Pcl (e / e* )

e* 0.01e

neutral

Wave packet
Image of wave we cannot distinguish where it is.
Image of particle we can distinguish where it is.
Wave packet : well-defined position of center + broadening.

Wave packet (Green) in potential (Red)

http://mamacass.ucsd.edu/people/pblanco/physics2d/lectures.html

Simple example (electron in periodic potential)

2r

H dr (r )
V (r ) e (r ) (r )
2m

R dr r (r ) (r )

V (r ) : periodic potential

(r ) : potential for weak electric field perturabation

dk

0 , c : creation operator of nth band

W
w
(
k

k
,
r
)
c
c c
nk
nk
(2 )3

2
dk
dk 2
(2 )3 w(k kc , rc ) 1, (2 )3 k w(k kc , rc ) kc

kc rc Enk e (rc )

Leff

Enk : energy of nth band

c

rc k Enk
c
c

kc e rc (rc ) eE

Magnetic field by circuit

Q energy perturbation due to atomic

displacement
(i) EG 4t 4t

P ea(Q / EG )
(ii) EG 4t 4t

P ea(t 2Q / EG3 )

t 0.1eV
ea / 20

3eV

Pobs.

Case (ii) can not explain the obs. value