978 0 7503 3395 5.preview
978 0 7503 3395 5.preview
978 0 7503 3395 5.preview
Mucio A Continentino
Centro Brasileiro de Pesquisas Físicas, Rua Dr. Xavier Sigaud, 150 - Urca,
Rio de Janeiro, Brazil
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Mucio A Continentino has asserted his right to be identified as the author of this work in
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DOI 10.1088/978-0-7503-3395-5
Version: 20210401
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US Office: IOP Publishing, Inc., 190 North Independence Mall West, Suite 601, Philadelphia,
PA 19106, USA
To Sonia, Michel, David and Alan.
Contents
Preface x
Acknowledgements xi
Author biography xii
vii
Key Methods and Concepts in Condensed Matter Physics
viii
Key Methods and Concepts in Condensed Matter Physics
ix
Preface
x
Acknowledgements
xi
Author biography
Mucio A Continentino
Mucio A Continentino is a Full Researcher at Centro Brasileiro de
Pesquisas Físicas in Rio de Janeiro. He is a member of the Brazilian
Academy of Sciences and has authored the book Quantum Scaling
in Many-body Systems: an Approach to Quantum Phase Transitions
published by Cambridge University Press.
xii
IOP Publishing
Chapter 1
The fluctuation–dissipation theorem
1.1 Introduction
In this chapter we introduce an important tool that will be used in a large part of this
book. This is the method of Green’s functions [1–3] that together with the
fluctuation–dissipation theorem [4, 5] allow us to calculate correlation functions,
which are directly related to experimental quantities.
Figure 1.1. The signal generator (SG) couples to the physical variable A of the system causing a
perturbation.
Representations
In the usual Schrödinger’s representation, the states, represented by kets, evolve in
time according to Schrödinger’s equation (we use ℏ = 1, but in some situations we
may restore it explicitly). We have,
∂
i ∣ψ (t )〉S = H ∣ψ (t )〉S = (H0 + V (t ))∣ψ (t )〉S .
∂t
In this representation the dynamics of the system is contained in the time dependence
of the kets. For a time independent Hamiltonian, the operators are constant in time.
It is useful to introduce new representations, as the interaction representation [2, 3]
where both, states and operators associated with physical variables change in time.
In this interaction representation the states are written as
∣ψ (t )〉I = e iH0t∣ψ (t )〉S .
We can easily find that these states obey the following modified Schrödinger
equation,
∂
i ∣ψ (t )〉I = VI (t )∣ψ (t )〉I , (1.1)
∂t
where
VI (t ) = e iH0t Ve−iH0t .
Notice that even if V is a time independent perturbation it now acquires a time
dependence. The dynamics of an operator BI (t ) = e iH0tBe−iH0t in the interaction
representation is governed by the following equation of motion
d
i BI (t ) = [BI (t ), H0 ], (1.2)
dt
where [BI , H0 ] = BI H0 − H0BI is the commutator of these operators. In the case
where B has an explicit time dependence, we have an additional term in this equation
given by, ∂B /∂t .
1-2
Key Methods and Concepts in Condensed Matter Physics
and U ( −∞) = 1. The symbol T represents the time ordering operator. The first terms
in the expansion of U (t ) are,
t
−i
U (t ) = 1 +
ℏ
∫−∞ dt′VI (t′)
⎛ −i ⎞2 t t′
+⎜ ⎟
⎝ℏ⎠ ∫−∞ dt′∫−∞ dt″VI (t′)VI (t″) + ⋯.
1-3
Key Methods and Concepts in Condensed Matter Physics
The superscript in the ket refers to the order of the perturbation and the subscript to
the representation. The change of the expectation value of the physical variable B to
first order in the perturbation is given by,
ΔB ≡ I 〈ψ (t )∣BI (t )∣ψ (t )〉I − 0I 〈ψ (t )∣B∣ψ (t )〉0I ,
which together with equation (1.7) yields,
ΔB = 1I 〈ψ (t )∣B∣ψ (t )〉0I + 0I 〈ψ (t )∣B∣ψ (t )〉1I .
Using equation (1.3) and the first order term in the expansion of U (t ), equation (1.4),
we get
t
−1
∣ψ (t )〉1I =
i
∫−∞ dt′AI (t′)F (t′)∣ψ 〉0I .
Then,
t
1
ΔB =
i
∫−∞ dt′ 0I ∣(AI (t′)BI (t ) − BI (t )AI (t′))∣ψ 〉0I F (t′)
t
(1.8)
1
=
i
∫−∞ dt′ 0I 〈ψ ∣[AI (t′), BI (t )]∣ψ 〉0I F (t′).
∞
ΔB = ∫−∞ dt′χBA(t − t′)F (t′), (1.9)
i
χBA (t − t′) = θ (t − t′) 0I 〈ψ ∣[BI (t − t′)AI (0)]∣ψ 〉0I . (1.11)
ℏ
1-4
Key Methods and Concepts in Condensed Matter Physics
ΔB (ω ) = χBA (ω )F (ω ), (1.12)
where
∞
χBA (ω) = ∫−∞ dteiωtχBA (t ).
ΔB(ω ) and F (ω ) are Fourier transforms, with similar definitions. Notice that if F (t )
is real, this implies that χ (t ) is also real. Consequently we find, χBA ( −ω ) = χBA
* (ω ) .
1-5
Key Methods and Concepts in Condensed Matter Physics
Then,
F0 * ωF
Q= [ χAA (ω)e iωt + χAA (ω)e−iωt ] 0 (e iωt + e−iωt ).
2 2i
The average energy absorbed by the system in a cycle of period T = 2π /ω,
T
Q¯ = ∫ Q(t )dt is given by,
0
2
F ω *
Q¯ = − 0 [ χAA (ω) − χAA (ω)]
4i
or
F2
Q¯ = 0 ω Im χAA (ω ). (1.13)
2
Since Q¯ > 0, ω Im χAA (ω ) > 0, implying that Im χAA (ω ) is an odd function of ω. The
energy absorbed from the SG is dissipated by the system and is given in terms of the
imaginary part of a dynamical susceptibility.
1.3.2 Fluctuations
Now we turn off the signal generator (V = 0) and concentrate on the spontaneous
fluctuations of the system. For a given variable A these fluctuations can be
characterized by a quantity like 〈(A2 − 〈A〉2 )〉, where the symbol 〈⋯〉 stands for
〈ψ ∣⋯∣ψ 〉, where ∣ψ 〉 = ∣ψ 〉0I is an eigenstate of H0. We will consider a more general
correlation function between two physical variables of the system defined by,
1
KBA(t ) = 〈ψ ∣(B(t ) − 〈B〉)(A(0) − 〈A〉) + (A(0) − 〈A〉)(B(t ) − 〈B〉)∣ψ 〉.
2
For simplicity we assume that the expectation values of A and B vanish, i.e.,
〈A〉 = 〈B〉 = 0 and write
1
KBA(t ) = 〈ψ ∣{B (t ), A(0)}∣ψ 〉 , (1.14)
2
1-6
Key Methods and Concepts in Condensed Matter Physics
which gives the response of the system to a weak external stimulus due to the signal
generator. We used above that KBA and χBA are functions of (t − t′) and took t′ = 0.
From a mathematical point of view, the FD theorem provides a relationship
between the expectation value of an anticommutator KBA(t ) and that of a causal
commutator χBA (t ).
Next, we will derive the FD theorem, but instead of working at zero temperature
(T = 0) as we have done so far, we will consider its generalization to finite T. In this
case the expectation values are replaced by averages over a canonical or grand-
canonical ensembles, i.e.,
Tre−βH0C
〈ψ ∣C ∣ψ 〉 → .
Tre−βH0
Using the eigenstates of H0, we can write the trace (Tr) as,
∑〈n∣e−βH C∣n〉 0
∑〈n∣C∣n〉e−βE n
Tre−βH0C n n
= = .
Tre−βH0 ∑〈n∣e−βH0∣n〉 ∑e−βE n
n n
1/2
KBA(t ) = ∑ e−βE [e iω n nmt BnmAmn + e−iωnmtAnm Bmn ], (1.16)
Z0 m, n
where Z0 = ∑n e−βEn is the partition function of the system, Bnm = 〈n∣B∣m〉 and
∞
ωnm = En − Em . Introducing KBA(ω ) = ∫−∞ KBA(t )e iωtdt , we obtain the spectral
decomposition of the correlation function,
1/2
KBA(ω) =
Z0
∑ e − βE n × [BnmAmn δ(ω + ωnm ) + Anm Bmnδ(ω − ωnm )]
m, n (1.17)
.
We also define the spectral density of a product of operators by,
1
IBA(ω) = ∑ e−βE [BnmAmn δ(ω + ωnm )].
n
(1.18)
Z0 m, n
1-7
Key Methods and Concepts in Condensed Matter Physics
where we reintroduced ℏ for completeness. The main difference with the previous
calculation for the correlation function appears when we take the time Fourier
transform to obtain χBA (ω ). Now we have to deal with the following integral,
∞
∫−∞ dtθ(t )ei(ω+ω nm )t .
For this purpose we write the following formal representation for the step function,
⎧ e−ϵt(ϵ → 0, ϵ > 0), for t>0
θ (t ) = ⎨
⎩ 0, for t < 0.
Substituting, we get,
∞ ∞
∫−∞ dtθ(t )ei(ω+ω nm )t = lim
ϵ→ 0
∫0 dte i (ω+ωnm+iϵ)t .
The factor ϵ > 0 guarantees the convergence of the integral at infinity and this can
be easily calculated. We find,
∞
−1
∫−∞ dtθ(t )ei(ω+ω nm )t = lim
ϵ→ 0 i (ω + ωnm + iϵ )
.
1-8
Key Methods and Concepts in Condensed Matter Physics
where ρn = e−βEn /Z0. However, ρn δ (ω + ωnm ) = e βωρm δ (ω + ωnm ) and dealing care-
fully with indices we obtain,
1
KBA(ω) = (1 + e βω)∑ ρn BnmAmn δ(ω + ωnm )
2 m, n
π βω
Im χBA (ω) = (e − 1)∑ ρn BnmAmn δ(ω + ωnm ),
ℏ m, n
where we notice the appearance of the spectral density IBA(ω ), given by equation
(1.18). Relating the values of the spectral density in the equations above we obtain,
2KBA(ω) ℏ Im χBA (ω)
βω
=
1+e π e βω − 1
or the most common form of the FD theorem:
ℏ ⎛ β ℏω ⎞
KBA(ω ) = coth⎜ ⎟ Im χBA (ω ). (1.22)
2π ⎝ 2 ⎠
kBT ⎛ πk T ⎞
Γ( t ) = coth⎜ B t⎟ .
2π ⎝ ℏ ⎠
1-9
Key Methods and Concepts in Condensed Matter Physics
Kramers–Kronig relations
Consider the integral below along the closed contour shown in figure 1.2,
I= ∮ dz ω −χ (zz−) iϵ .
The integrand has a pole at z = ω − iϵ. Since χ (z ) is analytical in the upper half-
plane, the integral above by Cauchy’s theorem vanishes. Also, because χ (∣z∣) → 0
when ∣z∣ → ∞, the integral along the arc vanishes. In this case we get,
∞
I= ∫−∞ dω′ ω −χω(ω′ ′−) iϵ = 0.
1-10
Key Methods and Concepts in Condensed Matter Physics
Figure 1.2. The contour of integration in the complex plane and the pole (red dot).
∞
1
Re χ (ω) = −P
π
∫−∞ dω′ Im χ (ω′)
ω − ω′
. (1.26)
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Key Methods and Concepts in Condensed Matter Physics
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