HW BCS Solution
HW BCS Solution
HW BCS Solution
Homework Problem:
Fermi gas in the BCS regime
Solutions to selected questions
D.J. Papoular
December 10, 2019
In order to write |ΨN i in second–quantised form, we introduce the pair creation operator b† :
Z
b† = d3 r1 d3 r2 φ(r1 , r2 ) Ψ̂†↑ (r1 )Ψ̂†↓ (r2 ) , (3)
where the field operator Ψ̂σ (r) creates a particle with the spin σ =↑ or ↓ at the point r.
The ket |r1 ↑, r2 ↓i appearing in the right–hand side of Eq. (4) is written in second–quantised
notation. It is a two–fermion state which is properly antisymmetrised, and whose first–quantised
expression is:
1
|r1 ↑, r2 ↓i = √ (|1 : r1 ↑, 2 : r2 ↓i − |1 : r2 ↓, 2 : r1 ↑i) . (5)
2
Replacing Eq. (5) into Eq. (4), we obtain:
Z
† 1
b |vaci = d3 r1 d3 r2 φ(r1 , r2 ) √ (|1 : r1 ↑, 2 : r2 ↓i − |1 : r2 ↓, 2 : r1 ↑i) . (6)
2
1
We exchange the role of the integration variables r1 and r2 in the term involving |1 : r2 ↓, 2 : r1 ↑i
Recalling that φ(r1 , r2 ) = φ(r2 , r1 ), we obtain:
Z
1
b† |vaci = d3 r1 d3 r2 φ(r1 , r2 ) √ (|1 : r1 ↑, 2 : r2 ↓i − |1 : r1 ↓, 2 : r2 ↑i) (7)
2
Z
= d3 r1 d3 r2 φ(r1 , r2 ) |1 : r1 , 2 : r2 i |χ12 i , (8)
where we have factorised the spatial and internal–state parts of the wavefunction. Hence, b† |vaci
is the properly normalised and antisymmetric wavefunction for a single Cooper pair.
The scalar product between the two N –particle states on the last line of Eq. (10) is non–zero if
the pairs appearing in the bra h(r10 , r20 ), . . . , (rN0 0
−1 , rN )| are the same as those appearing in the
ket |(r1 , r2 ), . . . , (rN −1 , rN )i up to a permutation of the pairs (and not of the particles). There
are (N/2)! such transpositions. For each of them, the scalar product is equal to the product of N
Dirac peaks δ(r1 − r10 ) · · · δ(rN − rN 0
). Therefore, Eq. (10) reduces to:
Z Z
N/2 †N/2
hvac|b b |vaci = (N/2)! d r1 d r2 |φ(r1 , r2 )| · · · d3 rN −1 d3 rN |φ(rN −1 , rN )|2 = (N/2)!
3 3 2
p (11)
Thus, the norm of b†N/2 |vaci is (N/2)! , and |ΨN i is expressed in terms of b† as follows:
b†N/2
|ΨN i = p |vaci , (12)
(N/2)!
where the numerical prefactor is the same as for a true bosonic creation operator.
2
positive) number N is a normalisation factor which ensures that hΨBCS |ΨBCS i = 1. The state
|ΨBCS i does not have a well–defined particle number, hence, the Hilbert space H it belongs to is
best described in the language of second quantisation.
The Hilbert space H is usually decomposed into subspaces Hn with well–defined particle num-
bers n: M
H = H0 ⊕ H 1 ⊕ H 2 ⊕ · · · = Hn . (14)
n
In Eq. (14), H is written in terms of the subspaces Hn as a direct sum, because if |ψn1 i is a valid
n1 –particle quantum state (i.e. an element of Hn1 ) and |ψn2 i is a valid n2 –particle quantum state
(i.e. an element of Hn2√), then both |ψn1 i and |ψn2 i are valid elements of H, and the superposition
state (|ψn1 i + |ψn2 i)/ 2 is also a valid quantum state.
In the context of BCS theory, the decomposition of H in terms of particle numbers is not the
most adequate one: it is more convenient to decompose H in terms of spatial modes. We first
consider the plane–wave state |ki. Because of Pauli’s exclusion principle, there are only four licit
fermionic states that may be constructed from this spatial state, which may be non–populated
(|vack i), or populated by a single particle (|k ↑i or |k ↓i), or populated by two particles (|k ↑, k ↓i).
We call Hk0 the four–dimensional Hilbert space spanned by these four states. Then, the complete
many–body Hilbert space H is the tensor product of the spaces Hk0 over all plane–wave indices k:
O
H= Hk0 . (15)
k
This new decomposition of H involves tensor products and not direct sums, because it involves
independent spatial modes which may be independently populated. For instance, let us consider
two different plane–wave states |k1 i and |k2 i. Then, |k1 ↑i is a single–mode state, which is an
element of Hk0 1 , and |k2 ↑, k2 ↓i is another single–mode state, which is an element of Hk0 2 ; these two
states may be combined to obtain an element of H which is |k1 ↑i⊗|k2 ↑, k2 ↓i = |k1 ↑, k2 ↑, k2 ↓i,
and which contains two populated modes1 .
The most convenient decomposition of H in the context of BCS theory is a variant of Eq. (15).
We wish the elementary Hilbert spaces Hk to encode the presence or the absence of Cooper pairs,
each of which consists of one atom in the state |k ↑i and another in the state |−k ↓i. Hence,
instead of using the spaces Hk0 , we introduce the four–dimensional spaces Hk spanned by the
states |vack↑,−k↓ i, |k ↑i, |−k ↓i, and |k ↑, −k ↓i. Here, the vacuum state |vack↑,−k↓ i should be
understood as the absence of any particle in the states |k ↑i and |−k ↓i. We may finally write:
O
H= Hk . (16)
k
Now, we recall that c†k↑ and c†−k↓ are fermionic operators, so that c†2 †2
k↑ = 0 and c−k↓ = 0. The
exponential appearing in Eq. (17) is a series involving the integer powers (c†k↑ c†−k↓ )n , which are all
zero for n ≥ 2. Therefore, one may replace each exponential in Eq. (17) by the only two surviving
terms, which leads to:
Y
1 + Np φk c†k↑ c†−k↓ |vaci .
p
N |ΨBCS i = (18)
k
1 One
√ √
may also consider the superposition (|k1 ↑i+|k2 ↑, k2 ↓i)/ 2 = (|k1 ↑i⊗|vack2 i+|vack1 i⊗|k2 ↑, k2 ↓i)/ 2.
3
Now, we shall factorise |ΨBCS i into a form which is compatible with the decomposition of
Eq. (16). The vacuum state |vaci appearing in Eq. (18) is the product of all vacuum states
|vack↑,−k↓ i: Y
|vaci = |vack↑,−k↓ i . (19)
k
Furthermore, for two different wavevectors k1 and k2 and any two complex numbers αk1 and αk2 ,
1 + αk1 c†k1 ↑ c†−k1 ↓ 1 + αk2 c†k2 ↑ c†−k2 ↓ |vack1 ↑,−k1 ↓ i |vack2 ↑,−k2 ↓ i (20)
= 1 + αk1 c†k1 ↑ c†−k1 ↓ |vack1 ↑,−k1 ↓ i |vack2 ↑,−k2 ↓ i + αk2 |vack1 ↑,−k1 ↓ i c†k2 ↑ c†−k2 ↓ |vack2 ↑,−k2 ↓ i
(21)
h i h i
= 1 + αk1 c†k1 ↑ c†−k1 ↓ |vack1 ↑,−k1 ↓ i 1 + αk2 c†k2 ↑ c†−k2 ↓ |vack2 ↑,−k2 ↓ i . (22)
1 p Y
|Ψk i = |vack↑,−k↓ i + Np φk |k ↑, −k ↓i , with N = Nk . (24)
Nk
k
p to normalise |ΨBCS i, it is sufficient to impose hΨk |Ψk i = 1 for all k. This leads to
In order
Nk = 1 + Np |φk |2 , so that we may finally write:
Y
|ΨBCS i = (uk |vack↑,−k↓ i + vk |k ↑, −k ↓i) , (25)
k
The coefficients uk and vk may be determined exactly in the case of vanishing interactions
(a = 0). In this limit, the N –particle system consists of a Fermi sea defined by the Fermi
wavevector kF = (3π 2 n)1/3 , where n is the spatial density (cf. Problem 2, the different numerical
prefactor reflects the fact that all single–particle states may now be populated by two particles
with the internal states |↑i and |↓i). Then, below the Fermi surface, all single–particle states are
occupied, so that uk = 0 and vk = 1; above the Fermi surface, all single–particle states are empty,
meaning that uk = 1 and vk = 0.
4
2.4 Statistics of the number of particles in the BCS state
In order to determine the statistics of the total atom number N̂ in this state, we follow a procedure
similar to the one we employed in Problem 1 when calculating the photon or electron number
statistics in two–particle interference experiments. More precisely, we first calculate the properties
of the atom number n̂k = n̂k↑ + n̂−k↓ for a given wavevector k, and then use the independence of
P
the random variables nk to conclude as to the properties of N̂ = k n̂k .
The random variable nk takes the value 0 with probability |uk |2 , and the value 2 with the
probability |vk |2 (the value is 2 and not 1 because each Cooper pair contains two particles).
Therefore, its mean value is hn̂k i = 2|vk |2 . Similarly, the random value n2k takes the value 0 with
the probability |uk |2 , and the value 22 = 4 with the probability |vk |2 , so that its mean value is
hn̂2k i = 4|vk |2 . Therefore, the variance of the random variable nk is:
2
∆n2k = hn2k i − hnk i = 4(|vk |2 − |vk |4 ) = 4|uk |2 |vk |2 , (27)
2 2
P the normalisation condition |uk | + |vk | = 1.
where the last step follows from
Now, we recall that N̂ = k n̂k . The random variables nk are independent, so that the mean
2
value N = hN̂ i of the particle number and its variance ∆N 2 = hN̂ 2 i − hN̂ i satisfy:
X X X X
hN̂ i = hnk i = 2 |vk |2 and ∆N 2 = ∆n2k = 4 |uk |2 |vk |2 . (28)
k k k k
Finally, we show that for large particle numbers N , the fluctuation ∆N of the particle number is
small. For each wavevector k, the normalisation |uk |2 +|vk |2 = 1 entails that |uk |2 ≤ 1. Combining
this inequality with the expression for ∆N 2 in Eq. (28), we obtain:
s
2
X
2 ∆N 2
∆N ≤ 4 |vk | = 2 hN̂ i , so that ≤ . (29)
k
hN̂ i hN̂ i
The second inequality in Eq. (29) shows that ∆N/N becomes arbitrarily small for sufficiently large
N . Therefore, for large mean atom numbers, the fluctuations of the atom number in the BCS
state are negligible, meaning that in the large–N limit the state |ΨBCS i should capture the physics
of a system containing a fixed number of particles (i.e. described by the wavefunction |ΨN i).
We start from the expression for HBCS which appears as Eq. 10 in the problem. Substracting
from it the operator µN̂ , we obtain the grand–canonical Hamiltonian:
g X
(k − µ) c†k↑ ck↑ + c†−k↑ c−k↑ + c† c† ck0 ↓ c−k0 ↑ .
X
HBCS − µN̂ = (30)
Ω 0 k↑ −k↓
k k,k
In the spirit of the Hilbert space decomposition of Eq. (16), we replace the sum over k0 by a sum
over −k0 . We also split the double sum over k and k0 according to whether the two wavevectors
5
are equal or different, and exploit the anticommutation rules in the case of equal wavevectors:
g X g X † †
(k −µ) c†k↑ ck↑ + c†−k↑ c−k↑ + c†k↑ ck↑ c†−k↓ c−k↓ +
X
HBCS −µN̂ = ck↑ c−k↓ c−k0 ↓ ck0 ↑ .
Ω Ω 0
k k k6=k
(31)
The first two sums in Eq. (31) do not mix the subspaces Hk of Eq. (16). In order to evaluate their
average, we split the wavefunction |ΨBCS i into two terms |Ψk0 i and |Ψk1 i, corresponding to the
cases where the pair (k ↑, −k ↓) is absent or present, respectively. Thanks to Eq. (25):
Using this decomposition, one finds that the average of the kinetic energy term related to the
wavevector k is 2(k − µ)vk2 , and the average of the interaction term for k = k0 is (g/Ω)vk2 .
The third sum in Eq. (31) mixes two subspaces Hk and Hk0 with k 6= k0 . In order to evaluate its
average, we split the wavefunction |ΨBCS i into four terms |Ψk0k0 0 i, |Ψk0k0 1 i, |Ψk1k0 0 i, |Ψk1k0 1 i,
describing the absence or the presence of the two pairs (k ↑, −k ↓) and (k0 ↑, −k0 ↓):
|ΨBCS i = uk uk0 |Ψk0k0 0 i + uk vk0 |Ψk0k0 1 i + vk uk0 |Ψk1k0 0 i + vk vk0 |Ψk1k0 1 i . (33)
Using this decomposition, one finds that the average of the interaction term corresponding to
k 6= k0 is (g/Ω)uk vk uk0 vk0 . Combining the averages for all three sums in Eq. (31), we obtain:
X g 2 g X
hΨBCS |HBCS − µN̂ |ΨBCS i = k − µ + vk + u k u k 0 vk vk 0 . (34)
Ω Ω 0
k k6=k
The interaction terms for k = k0 shift the chemical potential by |g|/Ω. In the BCS limit, this shift
is negligible compared to µ ∼ EF , so that the average grand–canonical energy finally reduces to:
X g X
hΨBCS |HBCS − µN̂ |ΨBCS i = (k − µ) vk2 + u k u k 0 vk vk 0 . (35)
Ω 0
k k6=k
In order to minimise Eq. (35), we recall that u2k + vk2 = 1. Hence, we let uk = cos θk and
vk = sin θk , and write Eq. (35) in terms of the angles θk :
1X 1g X
hΨBCS |HBCS − µN̂ |ΨBCS i = (k − µ) [1 − cos(2θk )] + sin(2θk ) sin(2θk0 ) . (36)
2 4Ω 0
k k6=k
where the second equality follows from Eq. (32). Combining Eqs. (37) and (38):
1g
k − µ − cos(2θk ) tan(2θk ) = ∆ . (39)
2Ω
6
from which we extract the absolute values cos(2θk ) and | sin(2θk )|:
|k − µ| |∆| p
| cos(2θk )| = and | sin(2θk )| = , where Ek = (k − µ)2 + ∆2 . (41)
Ek Ek
We choose the sign of cos(2θk ) to ensure the convergence of the average total number of particles:
where the last step follows from the decomposition of Eq. (32). In order for the sum of Eq. (42)
to converge, the coefficients vk must go to zero for large k = |k|. Therefore,
We expect ∆ > 0; additionally, for large k, k − µ > 0. Hence, cos(2θk ) and sin(2θk ) satisfy:
k − µ ∆
cos(2θk ) = + and sin(2θk ) = + . (44)
Ek Ek
Using cos2 θk = [1 + cos(2θk )]/2, sin2 θk = [1 − cos(2θk )]/2, and cos θk sin θk = sin(2θk )/2:
2 2 1 k − µ ∆
u k = 1 − vk = 1+ and uk vk = , (45)
2 Ek 2Ek
The present variational method is more direct than the Bogoliubov approach outlined in the
problem. However, it is less general than the Bogoliubov approach, for two reasons. First, not
only does the Bogoliubov approach yield the ground state, it also shows that the energies Ek
correspond to the excitation spectrum. Second, the Bogoliubov approach may be applied in an
inhomogeneous system, i.e. in the presence of a trapping potential V (r) (see e.g. Ref. [1, chap. 5]).
d3 k
k − µ
Z
n= 1 − . (47)
(2π)3 Ek
7
In Eq. (47), the integrand f (k ) is a function of k = ~2 k 2 /(2m) only. Introducing the Fermi
energy EF and the Fermi wavevector kF defined by EF = ~2 kF2 /(2m), we change variables from
d3 k to d in the integral using the general formula:
1/2
d3 k kF3
Z Z
d
f (k ) = f () . (48)
(2π)3 4π 2 EF EF
Applying Eq. (48) to Eq. (47), we find:
1/2
kF3
k − µ
Z
d
n= 1− . (49)
4π 2 EF EF Ek
Replacing kF by its expression for a Fermi gas with two accessible internal states, kF = (3π 2 n)1/3 ,
the spatial density cancels out and we obtain:
Z ∞ 1/2
4 d −µ
= 1− . (50)
3 0 EF EF Ek
We consider the integral appearing in Eq. (50) in the limit where ∆ → 0. The excitation energy
1/2
Ek = (k − µ)2 + ∆2 reduces to Ek = |k − µ|. The content of the second pair of parentheses
in Eq. (50) is equal to 2 for < µ, and equal to 0 for > µ. Therefore, Eq. (50) reduces to:
Z µ 1/2 3/2
4 d 4 µ
= 2 = . (51)
3 0 EF EF 3 EF
We conclude from Eq. (51) that µ = EF : In the BCS limit, the attractive interaction is so weak
that it does not affect the chemical potential, which retains its non–interacting value.
The gap ∆ cancels out from Eq. (52) (although it is still present implicitly through Ek ):
1g X 1
1=− . (53)
2Ω Ek
k
We would now like to replace the discrete sum in Eq. (53) by an integral. This must be done with
care, because the integrand k 2 /k is not integrable for large values of k. Therefore, we introduce a
cutoff function η(k), which is equal to 1 for small values of k and goes to zero for large k sufficiently
rapidly to ensure the convergence of the integral:
d3 k η(k)
Z
1 1
=− . (54)
g 2 (2π)3 Ek
We compare this equation with the one linking the interaction strength g to the scattering length
a, which is established in the “Complement” to the problem (in particular, cf. question 33):
d3 k η(k)
Z
1 m 1
= − . (55)
g 4π~2 a 2 (2π)3 k
8
Substracting Eq. (54) from Eq. (55), we find:
d3 k
Z
m 1 1
= η(k) − . (56)
4π~2 a (2π)3 2k 2Ek
In Eq. (56), the integrand involves k 2 (1/k − 1/Ek ), which behaves like k 2 µ/(22k ) ∼ 1/k 2 for
large values of k. Therefore, the integral converges even in the absence of the cutoff function, and
its limiting value does not depend on the shape of η(k), which can be dropped:
d3 k
Z
m 1 1
= − . (57)
4π~2 a (2π)3 2k 2Ek
Finally, we change variables from d3 k to d in the integral thanks to Eq. (48), and use EF =
~2 kF2 /(2m) to find the adimensional gap equation:
Z ∞ 1/2
d EF EF π
− =− . (58)
0 EF EF Ek kF a
This integral is reminiscent of those which involve Cauchy’s principal value2 . This resemblance
motivates its calculation using the formalism of complex analysis. Instead of integrating from
0 to +∞ along the positive real axis, we integrate along the closed contour C in the complex
plane shown on Fig. 1. This contour avoids both the pole at x = α and the branch cut for the
square–root, which coincides with the negative real axis. Hence, we calculate:
Z
1 1
IC = dz z 1/2 − = 0, (60)
C z−α z
where the last step follows from the fact that the closed contour C circles no poles of the integrand.
9
y
large radius R
Figure 1 Closed integration contour C used in
Eq. (60). The contour avoids both the pole at x = a
and the branch cut for the square root, which coin-
cides with the negative real axis.
x
branch cut 0 α
Z ∞
√
1/2 1 1
I3 = − idy (iy) − = +iπ α . (62)
0 iy − α iy
Combining Eq. (63) with the gap Eq. (58), we finally obtain:
Z ∞
π 1/2 1 1
− = Re dx x − , where δ = ∆/EF . (64)
kF a 0 [(x − α)2 + δ 2 ]1/2 x − α + i0+
First, we calculate J1 . The integral appearing in Eq. (65) is well–behaved in the limit ∆ → 0
(that is, δ → 0). We find:
∞ a
a1/2 − x1/2
Z Z
1 1
J1 = dx x1/2 − a1/2 − = −2 dx . (67)
0 |x − a| x − a 0 a−x
10
Now, we turn to the calculation of J2 . Both terms appearing in the integral of Eq. (66) have
explicit primitives, and we find:
∞
1 x−a 1 x−a +
J2 = ln 1 + − ln 1 − − ln x − a + i0 .
2 [(x − a)2 + δ 2 ]1/2 2 [(x − a)2 + δ 2 ]1/2 0
(69)
11
Figure 2 Critical temperature for superfluidity along
the BEC–BCS crossover. The smooth solid line la-
belled “condensation” results from the BCS approach
discussed in the problem. The diamond indicates the
value of Tc /TF in the unitary regime obtained using
numerical quantum Monte Carlo calculations. Re-
produced from Ref. [3].
1/3
kB TcBEC
2 1
= ≈ 0.218 . (74)
EF π [3ζ(3/2)]2
The investigation of the strongly–interacting regime is much more challenging. The prediction of
the BCS model is smooth but non–monotonic near the unitary limit where 1/(kF a) = 0 (see the
solid curve on Fig. 2). In the regime where |kF a| & 1, mean–field theories are expected to be
inaccurate, and at present no exact solution for the many–body problem is available. Therefore,
one turns to more involved numerical Quantum Monte Carlo calculations, which yield the following
universal4 result for 1/(kF a) = 0 (see e.g. Ref. [3, §16.6]):
kB Tcunitarity
≈ 0.167 , (75)
EF
which is in excellent agreement with recent experimental results [5], but is slightly below the
mean–field prediction, thus confirming that the latter is not sufficiently accurate.
4 The unitary Fermi gas is defined by two conditions: (i) kF r0 1, where r0 is the range of the interaction
potential, meaning that the system is dilute; and (ii) |kF a| 1, meaning that the system is strongly–interacting.
In this limit, the scattering length a is no longer a relevant lengthscale: the only remaining dimensional parameter
is the Fermi energy EF . Therefore, the adimensional ratio kB Tcunitarity /EF is a universal number.
12
Figure 3 Experimental proof of superfluidity in an
interacting ultracold gas of fermionic 6 Li: Abrikosov
lattices of vortices have been nucleated and observed
for 1/(kF a) = 1.6 (BEC regime), 1/(kF a) = 0 (uni-
tary regime), and 1/(kF a) = −0.7 (BCS regime). Re-
produced from Ref. [4].
References
[1] P. de Gennes, Superconductivity of metals and alloys, Addison-Wesley (1966).
[2] W. Appel, Mathematics for Physics and Physicists, Princeton University Press (2007).
[3] L. P. Pitaevskii, S. Stringari, Bose-Einstein condensation and superfluidity, Oxford University Press, 2nd ed.
(2016).
[4] W. Ketterle, M. Zwierlein, in Proceedings of the International School of Physics Enrico Fermi, course CLXIV
(Varenna, June 2006) (2008).
[5] M. J. H. Ku, A. T. Sommer, L. W. Cheuk, M. W. Zwierlein, Science 335, 563 (2012).
[6] A. A. Abrikosov, Rev. Mod. Phys. 76, 975 (2004).
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