DynamicsofBlochElectrons

( h f ) (Ch16ofCMP)
Classical Electron Dynamics ClassicalElectronDynamics
Drude model
Halleffect
Semiclassical ElectronDynamics
WavepacketofBlochelectrons
VelocityandEffectivemass
Blochoscillation
Noninteracting electrons in an Electric field Noninteracting electronsinanElectricfield
QuantizingSemiclassical Dynamics
WannierStark Ladders WannierStarkLadders
deHassvanAlpheneffect
1
ClassicalElectronDynamics
Drude model
Basedonthefreeelectronmodel,assumethatanelectron
i lli i ith b bilit it ti f 1/
Drudemodel
experiencesacollisionwithaprobabilityperunittimeof1/t.
Theprobabilityofcollisioninanyinfinitesimaltime
interval dt is dt/t where t is called the relaxation time
Electronsunderexternalelectricandmagneticfieldsobey
intervaldt isdt/t,wheret iscalledtherelaxationtime.
dt
(

.
v
mv eE
c
v
B
m
e
t
=

( ) (1 ) ( ) ( )
dt
p t dt p t F t dt
t
(
+ ~ +

( )
( )
dp p t
F t
dt t
~ +

Therelaxationtimedescribesthedamping;withoutexternal
fields,thevelocityofelectronsis
dt t
( )
/
0
t
v t v e
t
=

14 15
~10 to 10 sec t

2
Inthepresenceofanelectricfield,
v

/ t
mB A Be
t
+

.
v
mv eE m
t
=

/ t
mB A Be
e eE m
t
t t

+
=

e
A E
t

Assume a solution of the form
( )
/
,
t
v t A Be
t
= +

( )
0
0 v t v = =

A E
m
=
Assumeasolutionoftheform
( )
/
0
t
e e
v t E v E e
m m
t
t t

(
= + +
(



( )
0
0
e
v E B
m
t
= +

m m
(

Ifthedensityofmobileelectronsisn,inresponseto,
h d
E

2
thecurrentdensityis
j nev =

2
.
ne
E
m
t
=

2
.
ne t
o =
Thustheelectricalconductivityis
j E o =

3
m
Consider that an electron moves along the x axis in a uniform
ClassicalHallEffect
Considerthatanelectronmovesalongthex axisinauniform
magneticfieldalongthez axisandelectricfieldalongthe
x axis.
B

.
v v
mv eE e B m
c t
=

Inaplateshapedspecimen,atransverseelectricfieldis
developedinthesteadystatebecausecurrentcannotflowout.
4
.
v v
mv eE e B m
c t
=

B Bz =

v
v
IfB=0
Inthesteadystate,
0
x
mv =

0.
y
x
x
v
v
eE e B m
c t
=
0
. j E o =

2
0
ne
m
t
o
0 0.
y
x
y y
v
v
mv eE e B m
c t
= =

eB
e
Aftermultiplyingby
ne
m
t
m
t
2
x x c y
ne
E nev nev
m
t
et =
c
mc
e
m
0 x x c y
E j j o et = +
m
0 y c x y
E j j o et = +
2
ne
E nev nev
t
et =
0 x x c y
j j
5
y y
y c x y
E nev nev
m
et
j E

j E

Conductivityandresistivitybecome2
nd
ranktensors,i.e.
, j E o = . j E =
1 et
| |
B
Magnetoresistanceis
0 0
1
1
c
xx xy
et

o o

et
| |
|
| |
|
= =
|
|
\ .
.
xy yx
B
nec
= =
B
1
0 0
1
yx yy
c

et
o o
|
\ .

|
\ .
c
eB
mc
e
TheHallcoefficientisdefinedas
1
,
H
R
nec
=
d di t f t i l t th d it f dependingonnoparametersofmaterialsexceptthedensityof
carriers.
AmeasurementoftheHallcoefficientdeterminesthesignof
chargecarriers.
6
SemiclassicalElectronDynamics
Velocity of Bloch electrons VelocityofBlochelectrons
Forfreeelectrons,
2 2
,
2
k
= E

mv k =

2m
v k =

1
= V E
1c
=
E
mv k =

2
v k
m
=
k
= V E

k
=
c

2
2
2
1 1
m
k
c
=
c
E

AretheseequationsvalidforBlochelectrons?
ThewavefunctionsofBlochelectronsare
( ) ( )
,
ik r
nk nk
r e u r

=




2

( ) ( )
2
.
2
nk nk
r r
m

V = E


whichobeys
7
( )
2 ik r
nk
e u r

( ) ( )
( )
ik r ik r
nk nk
ike u r e u r

= V + V

( )
( ) ( )
( )
ik r ik r
nk nk
ik ike u r e u r

= + V

( )
( )
2 2
2
ik r
ik k

V + V

( ) ( )
2 ik r ik r
nk nk
ike u r e u r

+ V + V

( )
( )
2
ik
nk
e ik k u r = V + V

( )
( ) ( )
2
2 2
2ik k u r u r V V+ = E

( )
( ) ( )
2
2
nk nk
ik k u r u r
m
V V+ = E

Undertheactionofweakstaticfields,ofBlochelectrons k

,
slightlyincreasesto . k k o +

TheHamiltonianis
( ) ( )
2
2
2

k k k k o o
(
H

( ) ( )
2
2
2
k k
i k k k k
m
o
o o
+
(
= V + V+ +
(

H


2 2 i k k k o o V+

8
2 2 i k k k o o V+
( )
2

2 2
2
k k k
i k k k
m
o
o o
+
~ + V+ H H

k o

Tothefirst
orderof
( )
2m
k o
order of
Wenowapplytheperturbationmethodby
using the perturbation Hamiltonian
( )
( )
2
1

k k i o V H

usingtheperturbationHamiltonian
( )
( )
1
.
k
k k i
m
o = V H

Thefirstordercorrectiontotheenergyis
( )
( )
( )
( )
2
1
k nk nk
u r k k i u r
m
o = V E



( ) ( )
ik r
k k
u r e r

=




m ( ) ( )
nk nk

( )
( )
( )
2
ik r ik r
nk nk
e r k i e r
m
k o

= V





( )
m
( ) ( ) ( )
ik r ik r ik r
nk nk nk
i e r e r r k e

V = + V

( ) ( )

nk nk nk
r k P r
m
o o = E

9
m
( ) ( )
1

1
k n
nk
n k
r
k
P r
m
=
c
c
E

k
m
c

ThisisthegroupvelocityofthewavepacketofBlochelectrons.
k
dv v
c
c
1
cE
2
1
k c c E
Effectivemass
k
dv
dt k t
v
o
|
o
|
|
c
c
=
c c

1
nk
v
k
o
o
c
=
c
E

1
nk
t k
k
k
|
o |
|
=
c c
c c
c

2
2
1
nk
k v
k k
| |
c
=
|
|
c c
\ .

1
v k

= M

k k
|
o |
|
c c
\ .

( )
2
-1
2
1
nk
k k
o|
c

c c
M
E

Miscalledtheeffectivemasstensor.
k k
|
o |
c c
Electronshavenegativeeffectivemass
are interpreted as holes with positive charge.
10
areinterpretedas holes withpositivecharge.
TheperturbationHamiltonianis
( )
1

.
k
k P
m
o = H

( ) ( )
(2)

nk nk nk nk
r k P r
m
o o = + E E

2
(2)
(0) (0)

nk n k n k nk
nk
k P k P o o
' '

| |
=
|
\ .

E
E E

(0) (0) nk
n n
nk n k
m
'=
'
|

\ .

E E

( )
2
-1
1
nk
c
M
E

( )
1
2
nk
k k
o|
o |
=
c c
M

1 1
P P +c c
2 (0) (0)
1 1
nk n k n k nk
n n
nk n k
P P
m m
o |
o|

o
' '
'=
'
+
= +

E E


c.c.
Thedeviationofeffectivemassfromm arisesfromthevirtual
transitionsbetweenenergybands.
11
gy
SemiclassicalElectronDynamics
Underelectricandmagneticfields,thewavevectorof
& , E B

g ,
electronsobey
.
e
k eE r B
c
=

& , E B
c
l h l i k l i fi ld
Inthefollowing,wewillprovethisequationseparately.
Blochelectronsinaweakelectricfield
Puzzle: Since the electrostatic potential is in a
( )
V r E r =

Puzzle: Sincetheelectrostaticpotentialisina
constantEfield,growslinearlyinspace.One
mustabandonperiodicboundaryconditions.
( )
V r E r
( )
V r

Onewaytosolvethispuzzleisintroducingatimedependent
vector potential instead of V since the electric field is vectorpotential,insteadofV,sincetheelectricfieldis
1 A
E V
c
= V

12
E V
c t
V
c
Toillustratethistrick,weusethefollowing1Dgeometryinwhich
thevectorpotentialis
. A cEt =
p
. A cEt
2
TheHamiltonianis
2
1

( )
2
e
P A U R
m c
| |
= + +
|
\ .
H
\ .
Theeigenfunctionandeigenenergy
li itl ti d d t i areexplicitlytimedependent,i.e.,
( ) ( )
2
1

e
(
| |
(

( ) ( )
1

( ) , ,
2
t
e
P A U R x t x t
m c
| |
(
| |
+ + =
(
|
\ .
(

E
Assumingthatthecircumference
isL,theperiodicconductionis
( ) ( )
, , . x L t x t | | + =

13
( ) ( ) ( )
2
1

( ) , ,
2
t
e
P U R x t x A t t | |
(
| |
+ + =
(
|
\ .
(

E

WecansimplifytheSchrodingerbythefollowingtransformation
( ) ( ) ( )
2m c
|
\ .
(

( ) ( )
, , ,
i x
x t e x t | |
A
=

calledtheHoustonfunction.
( )
i x
e
i A e r
c
|
A
| |
V+
|
\ .


( )
i x
A
c
e r
e
|
A
+

( ) ( )
i x i x
e r i e r | |
A A
= A V


0
e
A
c
A+ =
eA
hc
A =
demanding
2

P
(
Thesimplifiedequationis
( )
( )
( )
, .
ik t x
nk
x t e u x | = ( ) ( )

( ) , , ,
2
t
P
U R x t x t
m
| |
(
+ =
(

E
14
Wheredidtheeffectoffieldgo?
E

Theperiodicconductiongives
( ) ( )
, , x L t x t | | + =

( )
( )
/
ik t
i A ( ) ( )( )
( )
/ i A L ik t L
( )
( )
/
.
ik t x
ieAx c
nk
e e u x

( ) ( )
/ ieAx c
x t e x t | |

AL
( ) ( )( )
( )
/ ieA x L c ik t x L
nk
e e u x L
+ +
+ =

( ) ( )
, , . x t e x t | | =
( )
2
eAL
k t L l
c
t

+ =

( )
2 eEt l
k t
L
t
+ =

A cEt =
k eE =

Theindexobeysclassicalequationsofmotionforan
electroninanelectricfield.
k

15
Alternatively(HW16.7),wecanprovethisequationofmotionby
consideringtheevolutionoftheBlochwavefunctionsthrough
1

t i
c+
= +
c
H

( )
2
P
U R eE R
(
= + +
(
H

t i c
( )
2m
(

( )
? dt + =
( )
dt +
Thenweapplythetranslationoperatorto.
( )
? dt +
ik R
R
T e

+ = +

( )
( )
( )

ik dt R
R
T dt e dt

+ ~ +

( )
? k dt =

k eE =

(tothe1
st
orderindt)
16
Blochoscillations
Inthesemiclassicalpicture,manyQMeffectsare
k eE =

becausetheenergyofBlochelectronsisa
periodicfunctionofandelectronsobeyFermistatistics.
nk
E

k

retained
Iftherewerenodamping,electronswouldoscillateintime
ratherthantravel,andmetalswouldbecomeinsulators.
2 cos .
k
t ka = E
Forexample,the1Dtightbindingmodelofalatticeconstanta
gives
17
1
r
k
c
=
c
E

2
sin
ta
ka =

2 cos .
k
t ka = E
InauniformelectricfieldE,
k c
k eE =

| | | |
/ k eEt =
2
sin
ta aeEt
r
| |
=
|
\ .

2
cos
t aeEt
r
eE
| |
=
|
\ .

BlochoscillationsforCs
atomstrappedinpotentials
createdbystandingwaves
f l li h oflaserlight.
benDahanetal.PRL(1996)
18
Wavepacket
Theconceptofparticlesreferstowavepackets.Thedynamics
ofsemiclassicalelectronsisinvolvedwiththeevolutionofwave
packets.
Recallthatawavepacketin1Dcanbedescribedas
( ) ( )
ikx
f dk k

}
( ) ( )
ikx
f x dk g k e

=
}
( )
( )
2
k k o
( )
2
0
/4 ik x x
f
o
t

( )
( )
0
,
k k
g k e
o
=
( )
0
/4 ik x x
f x e e
o
o
=
( )
If
( )
~ 1 k x O A A
f( ) can be strongl locali ed or broad depending pon the f(x) canbestronglylocalizedorbroad,dependinguponthe
widthofg(k).
19
ForBlochelectrons,wecandefineawavepacket
centeredinspaceatanddominatedbywavevector
.
c
k

c
r

( )
c c
r k
W r

1
c
c
Inthepresenceofavectorpotentialthewavevectoris , A

( )
( )
( )
/
1
c c
c c c
ieA r ik r
r
r
kk k
c
k
k
W r w e r
N


=

20
( ) ( )
1 W r W r

Thewavepacketmustbenormalized;hence
( ) ( )
1
c c c c
r k r k
W r W r =


. r

Inaddition,thewavepacketisexpectedtobecenteredat
.
c
r
, p p
( )
,
c
k
c
i k k
kk kk
w w e
'
=



R
( ) ( )
3 *
,
k k k
i d r u r u r
c
=
}

R
If
,
c c
kk kk
( ) ( )
,
c c c
k k k
c
i d r u r u r
k
O
c
}

R
h
( ) ( )

then
( ) ( )
.
c c c c
c
r k r k
W r r W r r =



*
3 *
. .
2
c
c c c c
k
c
k k k k
u
L d r u k u c c
ir
ik
O
(
c
c
(
+ (
(
c
c

(

}

R
2
c
ir
ik
c
c

(

k

e
eE r B =

21
c
k
c
eE r B
c
=
( )
1
2
c c
k k
c c
L
e
r B k k
k k
(
c c
(
= +
c c
(
O
E

k
k k
u
i u
k
c
=
c
R

( )
2
c
c
c
c
mc
k k c c
(

O V R

is called Berry curvature; Berry phase

Berrypotential
AnomalousvelocityO and changesignas , k k

d h i h i l i h i i
k k
O V R

c
k
L

iscalledBerrycurvature; Berryphase
d I = O
}
andhencevanishinanycrystalwithinversionsymmetry.
The2
nd
twotermscanbeneglectedforweakand
. E B

Limitationsofsemiclassicaldynamics:
The spatial ranges of and must be larger than
E B

Thespatialrangesofandmustbelargerthan
atomicinterspacing.
Tunnelingbetweenbandsshouldbeavoided;and
E B
E B

fieldscannotbetoolarge.
ForACfieldsoffrequencye,cannotbelargerthanthe e
22
energygap.
HamiltonianDynamics
Similartoclassicaldynamics,one
P
c
=
L
Q P =

H L
canobtaintheHamiltonianfrom
.
l
l
P
Q
=
c

,
l l
l
Q P =

H L
TheHamiltonian
.
2
k k
e
B L eV
mc
= + H E


isaconstantofthemotion.
If and V vanish, travels along contours on the k

IfandV vanish,travelsalongcontoursonthe
energysurface.
k
nk
E

L
23
The1
st
Brillouinzone
ofanfcclattice
FermisurfaceofCu
1 1 1
2 2 2
( , , ) L =
2 2 2
( , , ) L
24
Closed orbits are Closedorbitsare
contoursontheFermi
surface for which is
k

surfaceforwhichis
periodicintherepeated
zonescheme.
k
Openorbitsarethose
forwhichcontinually k

increases.
Fermi surface of Cu
25
QuantizationofSemiclassicalDynamics
ThewavepacketsdonotexactlyobeytheSchrodinger
equation;they,however,approximatelyfollow
c
H
W
| |
/ i H
, i W W
t
c
~
c
H
| |
/
...... .
i t
W e

~
H
After some time t=T the dynamics of the wave packets leads to Aftersometimet=T,thedynamicsofthewavepacketsleadsto
( )
( )
0 , k k K = +

T
2 . j t = HT
( )
( )
j
Theformalquantizationconditionis
cH
( )
2 .
l
l
l
dt P j
P
t v
c
= +
c

}
H

( )
2
l l
l
dQP j t v = +

}

l l
l
QP =

H L

l
l
l l
l l
Q
P d
P P
d
t
=
c
c

H
v isaconstant;
oftenv =1/2.
26
Thequantizationcondition:
( )
2
l l
l
dQ P j t v = +

}

c
k

c
r

ThegeneralizedcoordinatesQ
l
areand.
l
cL
R

ThecanonicalmomentaP
l
are
e
p k A
cL

and
.
k
k
t = =
c
R

p k A
c r
= =
c

and
A
(
| |
integratingbyparts
2
k
eA
d
c
k dk r j t
(
+ =
(

}
R

dr
dk k
dk
dr k
| |
=

|
.
} }

( )
2
k
eA
dk r dr j t =
}
R

r k dk r =
}


( )
k
c
}

27
WannierStarkLadders
Forasystemwithauniformelectricfieldandnomagneticfield,
( )
2 dk r j t =
}
R


O
( )
}

Berryphase
( )
2
k
dk r j t =
}
R

O
( )
k k
d V I = E
}
R

K
dk r = I
}


K r = I

O
dk =
}
R

0
dk r = I
}
K r = I
isdefinedtobetimeaverageof r

. r

2 j t I
O
k
dk =
}
R

2 j
r
K
t I
=

28
deHassvanAlphenEffect
In1930,deHassandvanAlphendiscoveredthatmagnetization , p g
ofBiinamagneticfieldoscillatesasafunctionofmagnetic
field, asaconsequenceofthequantizationofelectrons
closedorbits.
M
Au
M
1/B
29
1
.
2
A B r =


TounderstandthedeHassvanAlpheneffect,werecallthe
quantizationcondition,andadopt
2
2 .
k
eA
d dk k r dr j
c
t =
}
R

O
( )

c
}

2
eA
dt k r r j t
| |
+ =
|
I
}

( )
1
2
r A r B r =



( )
1
B

( )
e
k r B r r =

2 dt k r r j
c
t + =
|
\ .
I
}

( )
1
2
r r B =

( )
e
dt B I+
}

( )
k r B
c
r r

( )
2
dt r r B
c
= I+
}

W i t bt i
e
k

Weagainusetoobtain.
e
k r B
c
=

r
( ) ( ) ( ) ( )
0 0
e
k t k r t r B
c
= (

30
( ) ( )
( )
( ) ( )
0 0 B B
e
k t k r t r B
c
= (

( ) ( ) ( ) ( )
( )
2
0 0
e e
B r t r r
c c
B r t B = + ( (



c c
( ) ( ) ( )
A B C A C B A B C =

( )
e
r B
c
r =

( )
2
B k
c
k
B e

( ) ( )
0 B B r r B =

c
( )
B e
( )
2
e
dt r r B j t I+ =
}

( )
2
2
dt r r B j
c
t I+
}

c B
| |
}
T

c B
| |
}

0
2
c B
dt k k
eB B
| |
= I+
|
\ .
}
T

2
c B
dk k
eB B
| |
= I+
|
\ .
}

31
Becausethechangein
k isnormaltothedirectionof
,
e
c
k r B =

. B

Thusmustbeconfinedto
( )
k t

.
theorbitdefinedbythe
intersectionoftheFermisurface
ith l l t
( )
B

( )

2 dk n k =
}
A

withaplanenormalto
. B

B
n

With we then have
( )
2 dk n k =
}
A
A istheareainkspaceenclosedbytheorbit
( )
. k t

B
n With,wethenhave.
2
2
c B
dk k j
B B
t
| |
I+ =
|
\ .
}

2
c
j
B
t I + = A

2
j
eB B
|
\ .
}
j
eB
Theareaoftheorbitalinkspaceisquantized.
32
Electronorbitsareinthexy plane,
z
andoccupytheintersectionofthe py
Fermisurfacewithasetconcentric
cylinderswhicharequantized.
Considerthecrosssectionofthe
Fermisphereinthexz plane.
B
p p
IftheFermisphereisofzero
thickness,foragivenj,twocircles j
inthexy planesatisfythecondition
oftwodifferentvaluesofB.
F F i h i f fi i ForaFermisphereisoffinite
thickness,twobeltssatisfythe
quantization condition quantizationcondition.
Thewidthofthebeltincreasesas
electronorbitsapproachtoliealong
33
pp g
anextremalpointofthesurface.
ForaclosedorbitontheFermisurface,asBincreases,the
areaenclosedbytheelectronorbitinkspacealsoincreases.
At finite temperatures, whenever electron orbits lie along an Atfinitetemperatures,wheneverelectronorbitsliealongan
extremalpointofthesurface,i.e.,thedensityof
stateismaximal.
0
z
k
c
=
c
A
Inotherwords,theelectronsresonantlyoscillateonthe
Fermi surface
34
Fermisurface.
Theoscillationsin
magnetizationresultfrom
changesinthedensityof
statesattheFermisurface.
Onecanaccurately
probeoftheFermi p
surfacebyapplyingthe
magneticfieldalong
diff di i
Other quantities such as specific heat and thermal conductivity
differentdirections.
Otherquantitiessuchasspecificheatandthermalconductivity
alsoexhibitoscillationswiththesameperiodin1/B.
A i t f th i t b d t b th F i AvarietyofotherexperimentscanbeusedtoprobetheFermi
surfaces.Inparticularly,angleresolvedphotoemission
spectroscopy is an very important method.
35
spectroscopy isanveryimportantmethod.
InthedeHaasvanAlphenoscillationofmagnetization,
largescaleoscillationsareduetoextremalorbitsaroundthe
thinneck, whilethesmallscaleonesareduetoextremal
orbitsaboutthethickbelly.
M
Au
1/B
2
c
j
eB
t I+ = A

Themagneticfieldpoints8.5 awayfrom(111).
36
Tofurtherillustratethequantizationcondition,wediscuss
Landauquantization
q ,
electronsinauniformmagneticfieldalongthezdirection
Choosethegauge
B

(0, ,0), A Bx =

then . B Bz =

TheSchrodingerequationbecomes
( , , ) (0, ,0)
x y z
B Bx
c c c
c c c
=

( ) ( )
2
2 2 2
2 2
.
2
ieBx
r r
m x y c z

(
| | c c c
+ + + = (
|
c c c
( \ .

E

( ) ( )
2
1
2
e
A r r
m i c

| |
V+ =
|
\ .
E

2m x y c z c c c
( \ .

BecausetheHamiltonianisnotinvolvedwithyandzexplicitly,
thewavefunctioncanbewrittenas
( )
( )
( )
, , .
y z
i k y k z
x y z e x
+
=
37
Theequationforis
( )
2
2
2
1
d x
B

| |

( )
x
( )
( ) ( )
2
2
1
.
2 2
y
d x
eB
m x k x x
m dx mc m

| |
'
+ + =
|
\ .
E

ThisisnomorethantheSchrodingerequationforthe1Dsimple
harmonicoscillatorofcyclotronfrequency
centeredonthepoint
y q y
,
c
eB
mc
e =
0
1
y
c
k
x
m e
=

.
y
c
k
eB
=

Theenergythusis
c
( )
1
2
,
c
j e
'
= + E
( )
2 2
1
2
.
2
z
c
k
j
m
e = + E

and
Theenergyoftheelectronstateisthesumofatranslational
energyalongthemagneticfield,togetherwiththequantized
energyofthecyclotronmotionintheplaneperpendiculartothe
field. ThediscreteenergiesarecalledLandaulevels.
38
Themagneticfieldjustsimplydrivestheelectronaround
withchangeofenergy.Theoscillationperiodis 2 2 mc
T
t t
= = .
c
c
T
eB e
= =
Since is confined to the orbit perpendicular to
( )
k t

, B

Sinceisconfinedtotheorbitperpendicularto
,
e
k v B =

dk e
Bv =
1 d
v
dk

=
E

( )
k t , B
,
c
Bv
dt c

=

dk

2
c dk
2
c dk c dkdk
c dk
d dk
eB dt

= E

c dk c dkdk
dt
eB v eB d

= =
E

dk
dk

2
2 m t
= A E

2
c d
d
eB T
=
A
E

2 m t
( )
2
1
eB
j + = A

( )
1
2
c
j t = + A

c
eB T
39
( )
2
2
j
mc m t
+ = A
( )
2
2 j
eB
t = + A