"Federated learning: out of reach no matter how close",Oleksandr Lapshyn
Lecture 4 microscopic theory
1. Lecture 4
Microscopic Theory
•The 2-Electron Problem
•Second Quantization:
•Annihilation and Creation Operators
•Solution of the 2-electron Schroedinger
Equation
•Cooper Pairs
•The many-electron problem-BCS Theory
•Solution of the Many-particle Schroedinger
Equation by the Bogoliubov-Valatin
Transformation
•The BCS Energy gap
2. Even number of electrons/unit cell
Band picture - electrons in momentum space
electrons in a periodic potential form Bloch waves and energy bands
Bloch waves n,k
(r) eik r
un.k
(r) Energy eigenvalues n (k)
Odd number of electrons/unit cell
E
metal insulator
semiconductor
E
energy gap
Repulsive interaction between electrons is a perturbation
Fermi
sea
Fermi liquid of “independent”
Quasiparticles (Landau, 1956)
Insulator, Semiconductor
Metal
3. Phonon Coupling
The Cooper Pair Problem
+ + + +
+ + + + Analogy
+ + + + 2 Bowling Balls on a
- + + + + MATTRESS
Cooper Pairing
Many electron
system
+ +
_
+ +
4. † †
1122
21 ,
kqkkqk
kkq
CCCCVH
Consider a subset of the many – electron system , i.e. a Cooper pair,
with
2 free electrons with antiparallel spins (for parallel spins, exchange
terms reduce the phonon-mediated attractive electron-electron
interaction).
With no interaction,
2211 ..
2121 ,,, xkxk
xxkk
i
e
5. Assume ϵF – ωD < ϵk , ϵk ± q < ϵF + ωD
so that H ̎ is predominately attractive
† †
(here we have let k’ replace k2 and k replace k1).
Consider two free electrons, and introduce center of mass
coordinates:
x = x1 – x2
q kk
kqkkqk CCCCVH
'
''''
)(
2
1
);(
21
)(
212
2211
xxX
xxkk xkxk
i
e1
xXx
xXx
2
1
2
1
2
1
12. - -
2 1
The region of increased positive charge density propagates through the crystal as a
quantized sound wave called a phonon
The passing electron has emitted a phonon
A second electron experiences a Coulomb attraction from the increased region
of positive charge density created by the first electron
13.
14.
15.
16.
17.
18.
19.
20.
21. BCS Theory – a Brief Treatment
For many electrons, we need to make sure the many-particle
wave function is anti symmetric.
We can write in general that the Hamiltonian is:
† †
† †
sksksqk
qk
sqkq
sksksqk
qsksk
sqkq
CCCCVHH
CCCCVHH
,',',
,
,0
,','','
,',',,
,0
2
1
2
1
:case)Cooperthein(as-k'kwhichforsonly stateconsiderusLet
theares's,Here indices.spin
22. Summing over s, it can be shown (using anticommutator
relationships for the annihilation and creation operators) that:
† †
† †
Here we have chosen S ↑ , S´↓ (to minimize the energy as before),
and summed over S,
We have also assumed that Vk,k’ = V-k,-k’
Note that the eigenstates for H0 are just the Block waves uk eik.x in
the crystal.
k'k,
-
(1.)
kkkkkk
k
kkkkk
CCCCV
CCCCH
'''
k k
C
k
C
k
H
0
takenand
†
23. Eq. (1.) is the BCS Hamiltonian
There are in general 2 approaches to solve the many-particle
Schroedinger equation (see, e.g. TINKHAM):
1. variational approach to minimize the energy
2. solution by a canonical transformation (the Bogoliubov/
Valatin transformation).
We will illustrate the second approach here.
Bogoliubov diagonalized the Hamiltonian for the liquid
helium superfluid condensate by introducing 2 new
operators:
25. Substituting these C’s into (1.) gives as the kinetic energy term
HT (1st set of terms):
† †
† †
Take mk = m-k = 0 for the ground state.
Next we consider the potential energy term Hv (second set of terms
with V)
kkkk
k
kkkkkkkkkkkkT
k
m
k
m
vummuvvH
andHere
)(22 22
2
26.
2
1
2
1
2
1
,
2
1
' '''
such that,
k
xvariablenewaintroduceweand
sorder termth4eneglect thnowWe
0termsdiagonalofforderth4
',
22
'''
2
Then,
.
V
Hintermsdiagonal-offingcorrespond
the
T
Hintermsdiagonal-offt theinsist thaweH,ediagonalizTo
kkkk xvxu
kk k
C
k
C
k
C
k
C
kk
VVH
kk
kkkkk
v
k
u
k
v
k
u
kk
V
k
kkkkk
v
k
u
k
cancel
† †
† † † †
29.
2
1
,
21
(...)222
,0
221
k
x
k
k
x
k
k
v
k
u
k
v
and
k
mSo
k
C
k
C
k
C
kx
or
)degeneracy(Spin
choose
F
EenergyFermi
k
For
N
:thatsons,interactioofabsenceintermslattertheneglectWe
N
isNofvaluenexpectatiothe
k
mstate,groundthein
k
k
CNConsider
† †
31. We take
Vkk’ = V, constant if |εk|< ħωD
= 0, otherwise
Here ωD is the Debye Frequency
Here ∆k can be evaluated as
2
1
''
2
'
''
2
1
kk
k
kkk dD
32. Here we will take the “density of states” D(εk’) as a constant, D(EF).
Consider Vkk’ Vkk’
ħωD
εk
So we need only evaluate
V
1
2
1
22
)(
1
sinh
2
1
F
D
F
EVD
dEVD
D
D
givesThis
33. This is the BCS gap energy in the density of states
For weak coupling (V small), this can be written as:
For the ground state wave function and finite temperature effects,
See TINKHAM.
)03.0~
2 )(
1
eV
e
DD
EVD
D
F
(of1%~Typically,