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(m,n)Z
2
_
E
0
[m, n)m, n[ + t
1
(e
i
Bm
2
[m, n)m, n + 1[ + h.c.)
+ t
2
(e
i
Bn
2
[m, n)m + 1, n[ + h.c.)
_
. (2.2)
Here h.c. means hermitian conjugate, E
0
is the reference energy, B is a
magnetic eld from which the magnetic phases appear (the symmetric gauge
5
was used), while t
1
and t
2
are hopping integrals between nearest neighbor
sites.
As for the leads, the dynamics in each of them is governed by the one-
dimensional discrete Laplacian with Dirichlet boundary conditions on l
2
(^)
(see Appendix 1). The Hamiltonian on the leads will be (t
L
> 0 is the
hopping integral on leads)
H
L
=
M
=1
H
L
, H
L
Z
t
L
([n
)n
+ 1[ + h.c.) . (2.3)
The coupling between the sample and leads is described by the tunnel-
ing Hamiltonian
H
T
=
M
=1
[0
)
S
[ +
M
=1
[
S
)0
[ =: H
LS
+ H
SL
. (2.4)
Here > 0 is the hopping integral between each lead and the sample, and
simulates a quantum point constriction or a tunneling barrier. Moreover, [0
)
is the rst site on the lead , and [
S
) is the site from the sample through
which the coupling with the lead is realized.
Then the total one-particle Hamiltonian is the sum H
S
+ H
L
+ H
T
. In
the case when the leads are semi-innite, we introduce a special notation for
it:
K := H
S
+
M
=1
H
L
+ H
T
= H
S
+ H
L
+ H
LS
+ H
SL
. (2.5)
2.2 Adiabatic currents and conductivity
Here we deal with electronic transport through the system. We rst take the
leads to be nite (i.e. each lead consists of N < sites), although their
length can be arbitrarily large. However, the thermodynamic limit N
is to be taken at a certain point in our argument.
We will only work in the grand canonical ensemble. This means that our
system is in contact with a reservoir of energy and particles. Having this
in mind, we will study the linear response of a system of non-interacting
fermions at temperature T and chemical potential subjected to a pertur-
bation, which is switched on adiabatically (to insure that the system is at
equilibrium at all times).
6
Let
(t) 2:
(t) =
_
e
t
if t 0
1 if t > 1
. (2.6)
Then the perturbation is given by (i
(t)
M
=1
V
=0
[i
)i
[. (2.7)
Notice that V (N, t) models the adiabatic application of a constant voltage
V
on the lead . This will generate a charge transfer between the leads via
the sample.
The relevant one-particle Hamiltonians then are:
H
0
(N) := H
S
+ H
L
(N) + H
T
(2.8)
H(N, t) := H
0
(N) + V (N, t).
Here H
L
(N) is the Hamiltonian acting on the nite leads, while H
0
(N) is the
same thing as in (2.5) but the dierent notation indicates that it describes
the initial equilibrium state for nite leads.
Now we are interested in deriving the current response of the system due
to the perturbation. Since we work in the grand-canonical ensemble, we have
to consider all our operators in the second quantization; see Appendix 2 for
further notation and properties.
At t = our system is characterized by the Gibbs equilibrium state,
and its corresponding statistical operator (density matrix) is the well-known
one (see (6.6)). The statistical operator describing the equilibrium state at
time t for the sample coupled with the nite leads is denoted by
(N)
(t) and
is dened as the (trace-class) solution of the quantum Liouville equation
i
(N)
(t)
t
= [d(H(N, t)),
(N)
(t)], (2.9)
which satises the initial condition lim
t
(N)
(t) =
(N)
0
, where
(N)
0
is as
in (6.6), but with H
0
(N) instead of H. We stress here the fact that if the
leads are innite, these operators are no longer trace-class.
Let us now write the perturbation in the interaction picture:
V (N, s) := e
isH
0
(N)
V (N, s)e
isH
0
(N)
. (2.10)
7
To describe the solution of the Liouville equation we consider the following
equation:
dW
ds
(s) = iW(s)d(
(t)
(N)
0
W(t)e
itd(H
0
(N))
(2.11)
is the unique solution to the Liouville equation, providing us with a positive
and trace-class operator. Expanding the Dyson series up to the rst order,
and using (6.8) and (6.9), a straightforward computation gives
(N)
(t) =
(N)
0
i
_
t
[d(e
i(st)H
0
(N)
V (N, s)e
i(st)H
0
(N)
),
(N)
0
]ds +O(V
2
).
(2.12)
Let us introduce the one-particle charge operator in a given lead (which
is nothing but minus the projector corresponding to the lead, the sign taking
into account the fact that we deal with electrons):
Q
(N)
=
N
i=0
[i
)i
[. (2.13)
Denote by Q
(N)
= d(Q
(N)
(t) := Tr
T
a
_
(N)
(t)Q
_
. (2.14)
Then the average charge is smooth in t, and we can dene the current in the
lead as the charge transfer in the unit of time, namely
1
(t) :=
d
dt
Q
(t). (2.15)
We will see that at t = 0, this current can be written as
1
(0) =
(T, , , N)V
+O(V
2
) (2.16)
8
where g
= s lim
t
e
itK
e
itH
0
P
ac
(H
0
), (2.17)
where P
ac
(H
0
) projects onto the leads subspace
M
=1
l
2
(N). Since KH
0
=
H
T
+H
S
is trace class, the wave operators
() =
m0
(; m)[m), (; m) =
sin(k(m + 1))
_
t
L
sin(k)
.
The generalized Fourier transform associated to these eigenvectors is de-
ned as
F :
M
=1
l
2
(N)
M
=1
L
2
([2t
L
, 2t
L
]), (2.18)
[F()]
() =
(),
)
l
2
(N)
=
m0
(; m)
(m).
Its adjoint is given by
F
:
M
=1
L
2
([2t
L
, 2t
L
])
M
=1
l
2
(N), (2.19)
[F
()]
(m) =
_
2t
L
2t
L
()(; m)d.
We see that F is a unitary operator, and that FH
L
F
= 2t
L
cos(k) Id. (2.20)
Then the S-matrix is unitary and given by S =
+
, and the T-matrix
is dened by T := SId. In the spectral representation of H
0
, the T-operator
is just a -dependent M M matrix. Spelled out (see (4.4)) this means
()
() = [F(S Id)F
(). (2.21)
The transmittance between the leads and at energy is nally dened
as
T
() := [t
()[
2
. (2.22)
2.4 The Landauer-B uttiker formula and the main the-
orem
We can nally give the main result of our paper.
Theorem 2.1. Consider the conductance g
(T, ) := lim
0
[ lim
N
g
(T, , , N)] =
1
2
_
2t
L
2t
L
dE
f
FD
(E)
E
T
(E),
(2.23)
where T
(0
+
, ) =
1
2
T
(). (2.24)
3 The Feshbach formula and spectral analysis
for the system with semi-innite leads
We assume throughout this section that the leads are semi-innite, thus by
R
L
(z) we denote the resolvent of the leads as a block diagonal matrix in
10
M
=1
l
2
(N). Some of its properties are given in Appendix 1.
We use the Feshbach formula [15, 22] in order to express the full resolvent
in terms of an eective Hamiltonian which describes the mesoscopic system
in the presence of the leads. More explicitely, the resolvent reads (see also
(2.5)):
R(z) = (K z)
1
= R
L
(z) +(1 R
L
(z)H
LS
)(H
e
(z) z)
1
(1 H
SL
R
L
(z))
(3.1)
where the eective Hamiltonian is dened as
H
e
(z) := H
S
H
SL
R
L
(z)H
LS
, z C R. (3.2)
The spectral problem for K is thus reduced to the spectral problem for H
L
and H
e
. Remark that H
e
(z) is not hermitian. If
S
denotes the projection
onto the subspace corresponding to the system l
2
(), then we have
(H
e
(z) z)
1
=
S
(K z)
1
S
, (z) ,= 0. (3.3)
Using (2.4), the explicit expression for the matrix elements of R
L
(z) that
we gave in (6.1), and Proposition 6.1 iii, we can write
H
e
(z) = H
S
2
M
=1
[
S
)0
[R
L
(z)[0
)
S
[
= H
S
2
t
L
1
(z)
M
=1
[
S
)
S
[ . (3.4)
We need some more notation. For > 0, dene the strip
:= x + iy C : 2t
L
+ < x < 2t
L
, [y[ < 1/. (3.5)
Finally, introduce the orthogonal projection
T
:=
M
=1
[
S
)
S
[. (3.6)
We can write:
H
e
(z) = H
S
2
t
L
1
(z)
T
.
Then the main result of this section is the following:
11
Proposition 3.1. Let [
S
) and [
S
) be the coupling points between the sample
and leads and . Dene
u
(z) =
S
,
_
H
S
z (
2
/t
L
)
1
(z)
T
S
), (z) > 0. (3.7)
Then for all positive and , the function u
to C
+
2
t
L
+
(z)
T
. (3.8)
Then u
+
(z) =
S
, [H
+
(z) z]
1
S
) is the meromorphic extension we are
looking for. Since l
2
() is nite dimensional, the set of poles is included in
the set of solutions of det(H
+
(z)z) = 0. Clearly, because of (3.3), the poles
cannot be in the upper complex half-plane.
Now let us prove that the poles are neither on the real axis. If there are no
solutions for det(H
+
(z)z) = 0 in (2t
L
, 2t
L
) then we are done. Now assume
that there exists (2t
L
, 2t
L
), such that H
+
() is not invertible.
Then H
+
() is not injective; denote by p
Ran(p
) we
have
(H
S
)
2
t
L
+
()
T
= 0.
Taking the scalar product with
,
T
) = [[
T
[[
2
= 0.
This implies that
T
= 0 and thus
.
Because p
T
= 0, and because Ran(p
) is spanned by eigenvectors of
H
S
, it means that p
commutes with H
+
(z) and we can write (here q
=
Id p
)
H
+
(z)z = p
(H
+
(z)z)p
+q
(H
+
(z)z)q
= (z)p
+q
(H
+
(z)z)q
.
(3.9)
12
The range of q
is generated by eigenvectors of H
S
, which either correspond to
other eigenvalues than , or correspond to but are orthogonal to Ran(p
).
Now q
(H
+
() )q
(H
+
(z) z)q
(3.10)
is holomorphic around . In conclusion, since p
S
= 0,
u
+
(z) =
S
, [H
+
(z) z]
1
S
( z)
1
p
S
) (3.11)
is also holomorphic near and we are done. A similar reasoning gives a
meromorphic extension to C
which we denote by u
. It is also easy
to see (use (3.3) and (3.7) that
u
+
(z) = u
(z). (3.12)
Remark. The above proposition does not rule out real poles for the eective
Hamiltonian. It only says that its eventual real poles are not singularities for
functions like u
+
(4.1)
= Id +
2i
_
2t
L
2t
L
[(H
L
x + i0)
1
]T(x + i0)[(H
L
x + i0)
1
]dx,
13
where we used the fact that H
L
has purely absolutely continuous spectrum,
and T(z) = W W(K z)
1
W. In fact, since H
S
lives in a subspace
orthogonal to H
L
, we can take T(z) = H
T
H
T
(K z)
1
H
T
. Moreover,
using the Feshbach formula we get
S = Id
2i
2
,=1
_
2t
L
2t
L
_
[(H
L
x + i0)
1
][0
)
_
S
, R
e
(x + i0)
S
)
_
0
[[(H
L
x + i0)
1
]
_
dx. (4.2)
Take
M
=1
C
0
((2t
L
, 2t
L
)). Using the formulae (2.20), (2.18), (2.19),
and (3.7), we have
[F(S Id)F
() =
2i
2
=1
_
2t
L
2t
L
dx
_
[( x + i0)
1
](; 0)
_
u
+
(x) (4.3)
__
2t
L
2t
L
[(
t
x + i0)
1
](
t
; 0)
(
t
)d
t
_
.
Using twice Sohotskys formula 1/(t + i0) = P.V.(1/t) i we get
[F(S Id)F
() = 2
2
i
M
=1
[(; 0)[
2
u
+
()
(). (4.4)
Therefore, the T-operator is a matrix in the spectral representation of H
L
with elements
t
() =
2
2
t
L
i sin(k)u
+
(). (4.5)
Then the transmittance between the leads and at energy =:
2t
L
cos(k
) is (see (2.22)):
T
() =
4
4
t
2
L
sin
2
(k
)[u
+
()[
2
. (4.6)
14
4.2 Conductivities via the linear response theory
We now concentrate on the left hand side of (2.23). Our main goal here
is obtaining a more detailed version of formula (2.16), and to put into evi-
dence the conductivities g
(t) = Tr
T
a
_
d
(N)
(t)
dt
Q
(N)
_
= iTr
T
a
_
(N)
(t)[H(N, t), Q
(N)
]
_
= iTr
T
a
_
(N)
(t)d([H(N, t), Q
(N)
])
_
= Tr
T
a
_
(N)
(t)d(j
(t))
_
(4.7)
where the one-particle current operator is
j
] (4.8)
and has a simple explicit form, independent of time (because Q
(N)
and
V (N, t) commute):
j
= i([0
)
S
[ [
S
)0
[). (4.9)
We remark that j
) , (4.10)
1
(1)
(0) := i
_
0
Tr
T
a
_
(N)
0
[d(
)]
_
ds.
Inserting (2.12) in (4.7), and using (6.10) for the rst term and trace com-
mutation properties for the second one, we obtain:
1
(0) = 1
(0)
(0) +1
(1)
(0) +O(V
2
). (4.11)
15
Introduce the notation:
Q
(N)
(s) := e
isH
0
(N)
Q
(N)
e
+isH
0
(N)
. (4.12)
We continue rewriting 1
(1)
(0) employing (6.8), (6.9), (6.10), which leads to
1
(1)
(0) = i
_
0
Tr
T
a
_
(N)
0
[d(e
isH
0
(N)
V (N, s)e
isH
0
(N)
), d(j
)]
_
ds
= i
_
0
(s)Tr
T
a
_
(N)
0
[d(Q
(s), d(j
)]
_
V
ds
= i
_
0
ds
(s)Tr
T
a
_
(N)
0
d[Q
(s), j
]
_
V
= i
_
0
ds
(s)Tr
1
(f
FD
(H
0
(N))[Q
(s), j
]) V
.
Notice that the minus appears because the charge is negative, and we replaced
the projector on each lead with the corresponding charge operator. The
average current at time t = 0 then becomes
1
(0) = 1
(0)
(0) +1
(1)
(0) +O(V
2
) = Tr
1
(f
FD
(H
0
(N))j
) (4.13)
i
_
0
dse
s
Tr
1
_
f
FD
(H
0
(N))[Q
(N)
(s), j
]
_
V
+ O(V
2
).
If we compare this expression with the one announced in (2.16) we see
that we are almost in place with the exception of the term 1
(0)
(0). This term
represents the current in the equilibrium state when all V
_
= 0. (4.14)
In particular, 1
(0)
(0) = 0.
16
Proof. Using (4.9), the left hand side of (4.14) reads as
i
_
S
, (H
0
(N) z)
1
0
) 0
, (H
0
(N) z)
1
S
)
_
. (4.15)
We now make use of formula (3.1) where we replace H
L
with H
L
(N) (see
below (2.8) for the denition of H
L
(N)). We introduce the obvious notation
R
L
(N, z) and H
e
(N, z) which indicate that the leads have nite length.
Since (see (2.4)) the only contribution from H
LS
which survives is [0
)
S
[
(and a similar term for H
SL
), formula (3.1) leads to:
S
, (H
0
(N) z)
1
0
) =
S
, (H
e
(N, z) z)
1
S
)0
, R
L
(N, z)0
)
= 0
, (H
0
(N) z)
1
S
), (4.16)
and the proof is nished.
Therefore, we have nally obtained an expression for the total current as
it was announced in (2.16), where the conductivities are given by
g
(T, , , N) := i
_
0
dse
s
Tr
1
_
f
FD
(H
0
(N))[Q
(N)
(s), j
]
_
. (4.17)
What we do in the next paragraphs is to perform the various limits required
by Theorem 2.23.
4.2.2 Making the leads semi-innite: N
Dene the quantity which is the natural candidate for the limit N :
g
(T, , , ) := i
_
0
dse
s
Tr
1
_
f
FD
(K)[Q
()
(s), j
]
_
. (4.18)
Notice that when N = , we have H
0
() = K (see (2.8) and (2.5)). Neither
f
FD
(K) nor Q
()
is the same as
in (4.9) (thus of rank two), the total operator is trace class whose trace is
uniformly bounded with respect to s.
The main result of this paragraph is contained in the following lemma,
which states that the speed of convergence when N grows to innity is faster
than any polynomial:
Lemma 4.2. For every J > 0, there exists C > 0 which may depend on all
other parameters but N, so that
[g
(T, , , N) g
(T, , , )[ C/N
J
. (4.19)
17
Proof. We rst reduce (4.17) to a form which is easier to work with. Re-
placing the expression for Q
(N)
(T, , , N) = (4.20)
i
_
0
dse
s
_
Tr
_
f
FD
(H
0
(N))e
isH
0
(N)
Q
(N)
e
isH
0
(N)
j
_
Tr
_
f
FD
(H
0
(N))e
isH
0
(N)
j
e
isH
0
(N)
Q
(N)
__
.
It is clear that it is enough to prove an estimate as in (4.19) for just one of
the terms in (4.20). Dene
A
(N) :=
_
0
e
s
Tr
_
f
FD
(H
0
(N))e
isH
0
(N)
Q
(N)
e
isH
0
(N)
j
_
ds. (4.21)
Since [[H
0
(N)[[ const uniformly in N, it means that we can nd an interval
[a, b] independent of N so that the spectrum of H
0
(N) is included in it. Dene
the function
0
C
0
(R), 0
0
1, supp(
0
) (1 + a, b + 1) and
0
(x) =
1
e
(x)
+ 1
, x (a, b). (4.22)
Also dene for every s > 0 the function
s
(x) :=
0
(x)e
isx
. (4.23)
Clearly, f
FD
(H
0
(N))e
isH
0
(N)
=
s
(H
0
(N)). Assume that
0
is an almost
analytic extension of
0
, supported in the strip
supp(
0
) (1 + a, b + 1) (/2, /2) C, (4.24)
and such that
sup
1+axb+1
[
0
(x + iy)[ const [y[
P
, [y[ /2, (4.25)
where P is any previously given positive integer. Because e
isz
is entire
as function of z, an almost analytic extension for
s
is simply
s
(z) :=
0
(z)e
isz
. The Heler-Sjostrand formula reads as (see for example [12])
s
(H
0
(N)) =
1
_
supp(
0
)
(
0
(x + iy))e
isx+sy
(H
0
(N) x iy)
1
dx dy.
We will use the following technical result:
18
Proposition 4.3. Let F : C C R be smooth. Assume that for x + iy in
the support of
0
, we can nd two positive integers k
1
and k
2
P, such that
we have the estimate
[F(x + iy)[ const
1
N
k
1
[y[
k
2
, x + iy supp(
0
), y ,= 0. (4.26)
Then
_
supp(
0
)
[
0
(z)[ [F(z)[dxdy const
1
N
k
1
. (4.27)
Clearly, the proposition is immediately implied by (4.25) and (4.26) and
it does not require further details.
We can introduce the expression of
s
(H
0
(N)) in (4.21)and perform the
integral with respect to s; the interchange of integrals is permitted because
on the support of
0
we have [y[ < . In order to simplify the writing,
we denote x + iy = z and dx dy by d
2
z. Then forgetting about irrelevant
constants, we have that A
0
)
0
(z) Tr
_
(H
0
(N) z)
1
Q
(N)
(H
0
(N) z + i)
1
j
_
d
2
z. (4.28)
Next we want to simplify the above trace, by expressing Q
. Denote by z
t
= z i. We have (see (4.8) and (4.9))
j
= i[Q
(N)
, H
0
(N)]
= i
_
Q
(N)
(H
0
(N) z
t
) (H
0
(N) z)Q
(N)
_
i(z
t
z)Q
(N)
,
then using obvious notation for the resolvents:
R
0
(N, z)Q
(N)
R
0
(N, z
t
) =
1
z
t
z
iR
0
(N, z)j
R
0
(N, z
t
)
+ Q
(N)
R
0
(N, z
t
) R
0
(N, z)Q
(N)
. (4.29)
Inserting this back into (4.28) we have a number of terms which have to
be treated separately. We only deal with one of them, namely the term
proportional up to irrelevant constants with
_
supp(
0
)
0
(z) Tr
_
R
0
(N, z)Q
(N)
_
d
2
z. (4.30)
19
Since Q
(N)
= i
[0
)
S
[, introducing it back again and performing
the trace, we obtain up to some constants (see (4.16))
_
supp(
0
)
0
(z)
S
, (H
e
(N, z) z)
1
S
)0
, R
L
(N, z)0
)d
2
z. (4.31)
The next step is to replace the quantities involving nite leads with the ones
corresponding to semi-innite leads. Let J be an arbitrarily large integer.
We see that one term we have to look at in connection with (4.31) is
F
1
(z) :=
S
, (H
e
(N, z) z)
1
S
) (0
, R
L
(N, z)0
) 0
, R
L
(z)0
)).
An application of (6.15) and (6.18) yields the estimate
, R
L
(N, z)0
) 0
, R
L
(z)0
const
1
[(z)[
2
e
2cN[.(z)[
, (4.32)
uniformly in z on the support of
0
, with (z) ,= 0. Notice that (3.3) is also
true at nite N, and this gives an upper bound of order 1/[(z)[ on the rst
factor in F
1
(z). We nally obtain:
[F
1
(z)[ const
1
[(z)[
3
e
2cN[.(z)[
, (4.33)
uniformly in z on the support of
0
, with (z) ,= 0. But this implies
[F
1
(z)[ const
1
[(z)[
3+J
N
J
. (4.34)
Now choose
0
to have a decay in y near the real axis with an exponent P
larger than J + 3 (see (4.25)). Then (4.27) implies that the integral of F
1
times
0
will decay at least like N
J
.
Another type of term one needs to estimate can be put into the form
F
2
(z) := 0
, R
L
(z)0
) (4.35)
S
(H
e
(N, z) z)
1
S
)
S
(H
e
(z) z)
1
S
)
.
Using the identity A
1
B
1
= A
1
(B A)B
1
, and the expression (3.2)
which is valid for both eective Hamiltonians, we reduce the problem to the
20
estimate from (4.32), but in addition we have some other terms which are
each bounded from above by 1/[(z)[. We eventually get the estimate
[F
2
(z)[ const
1
[(z)[
5
e
2cN[.(z)[
, (4.36)
and then we reason as before.
Concluding, we proved that the dierence between a term as in (4.31)
at nite N, and a similar term with innite leads, decays faster than
any integer power of N. We consider that (4.19), thus the lemma, to be
proven.
4.2.3 Taking the adiabatic limit: 0
The next limit to be performed is the adiabatic limit. Thus we dene
g
(T, ) := lim
0
g
(T, , , ) (4.37)
where g
(T, , , ) = i
_
0
dse
s
Tr
1
_
f
FD
(K)e
isK
Q
e
isK
j
e
isK
Q
e
isK
f
FD
(H)
_
We note that in the above formula appears again f
FD
(K)e
isK
and its
adjoint. We will express them using the Stone formula. Recall now that K
can have point spectrum outside the interval [2t
L
, 2t
L
]; we also assumed
that 2t
L
are not eigenvalues. We will see in the next section that K might
have embedded eigenvalues in (2t
L
, 2t
L
) (see Proposition 5.4).
Consider without loss of generality that there is only one eigenvalue E
1
outside [2t
L
, 2t
L
], P
1
being the corresponding projector. Then from the
Stone formula one has
f
FD
(K)e
isK
= lim
0
_
2t
L
2t
L
dEf
FD
(E)e
isE
1
R(E + i)
+ f
FD
(E
1
)e
isE
1
P
1
(4.38)
21
Now we follow the same steps as in Section 4.2.2, namely we perform the
integrals over s and we get
g
(T, , , ) =
i
2
lim
0
_
2t
L
2t
L
dEf
FD
(E)Tr
1
(M
(E, , ))
+ f
FD
(E
1
)Tr
1
(P
1
Q
R(E
1
i)j
+ j
R(E
1
+ i)Q
P
1
)
(4.39)
where we denoted
M
R(E i)j
+ j
R(E + i)Q
R(E
1
i) = iP
1
[K (E
1
i), Q
]R(E
1
i)
= P
1
Q
R(E
1
i) iP
1
Q
(4.41)
from where we get
P
1
Q
R(E
1
i) =
1
P
1
j
R(E
1
i)
i
P
1
Q
(4.42)
Then replacing P
1
Q
R(E
1
i) and its adjoint in the second term from
(4.39) we obtain
Tr
1
(P
1
Q
R(E
1
i)j
+ j
R(E
1
+ i)Q
P
1
)
=
1
Tr
1
(j
R(E
1
+ i)j
P
1
+ j
P
1
j
R(E
1
i) + i(P
1
Q
P
1
))
and we can see right away that the last two terms dissapear when ,= .
The singularities appearing in resolvents can be isolated by writing
R(E
1
i) = i
P
1
+
1
2i
_
[zE
1
[=
1
z (E
1
i)
(K z)
1
dz with > .
(4.43)
22
We also write P
1
as a Riesz integral
P
1
=
i
2
_
[z
E
1
[=
R(z
t
)dz
t
with
t
< . (4.44)
By looking at (4.43) we see that the singular term equal to
1
2
Tr
1
j
P
1
j
P
1
P
1
= iP
1
[K, Q
]P
1
= iP
1
[K E
1
, Q
]P
1
= 0. (4.45)
Thus we are only left wih the regular part from (4.43). Replace it in (4.43),
together with P
1
expressed as in (4.44). We have
1
Tr
1
j
R(E
1
+ i)j
P
1
+ j
P
1
j
R(E
1
i)
=
1
4
2
_
[zE
1
[=
dz
_
[z
E
1
[=
dz
t
F
(z, z
t
, ), (4.46)
where we used the notation
F
(z, z
t
, ) :=
1
z (E
1
+ i)
Tr
1
(j
R(z)j
R(z
t
))
+
1
z (E
1
i)
Tr
1
(j
R(z
t
)j
R(z)) . (4.47)
To go further with the computations we need a technical lemma that
gives a general expression for Tr
1
(j
R(z)j
R(z
t
)).
Lemma 4.4. Let u
R(z)j
R(z
t
)) =
4
t
2
L
(
1
(z)
1
(z
t
))
2
u
(z)u
(z
t
). (4.48)
23
Proof. Taking into account the explicit form of j
and j
Tr
1
((j
R(z)j
R(z
t
))
=
2
, R(z)0
), R(z
t
)0
) , R(z))0
, R(z
t
)0
)
0
, R(z)0
), R(z
t
)) +0
, R(z))0
, R(z
t
)).
Each term is computed then using the Feshbach formula for R(z)
, R(z)0
), R(z
t
)0
) =
2
, R
e
(z))0
, R
L
(z)0
)
, R
e
(z
t
))0
, R
L
(z
t
)0
)
, R(z))0
, R(z
t
)0
) =
2
, R
e
(z))0
, R
L
(z
t
)0
)
, R
e
(z
t
))0
, R
L
(z
t
)0
)
0
, R(z)0
), R(z
t
)) =
2
0
, R
L
(z)0
), R
e
(z))
0
, R
L
(z)0
), R
e
(z
t
))
0
, R(z))0
, R(z
t
)) =
2
0
, R
L
(z)0
), R
e
(z))
0
, R
L
(z
t
)0
), R
e
(z
t
)).
Moreover, we can also use the expression for the matrix elements of the
resolvent R
L
, which proves the lemma.
Now turning back to (4.47) and using the lemma we arrive at
t
2
L
4
F
(z, z
t
, ) =
1
z (E
1
+ i)
(
1
(z)
1
(z
t
))
2
u
(z)u
(z
t
)
+
1
z (E
1
i)
(
1
(z)
1
(z
t
))
2
u
(z
t
)u
(z).
Now we have to handle the contour integrals in (4.46). Notice that u
(z)
is singular around E
1
. However, due to the equivalence (3.3) and relation
(4.43) we have (with
1
> ):
u
(z) =
S
, P
1
S
)
1
E
1
z
+
1
2i
_
[z
1
E
1
[=
1
dz
1
1
z
1
z
S
, R(z
1
)
S
).(4.49)
Remember that we have
1
> >
t
. Replacing the us in (4.47) we obtain
a lot of terms. The most singular one is of the form (we omit the contours
and other constants for simplicity)
24
A
1
:=
1
_
dz
_
dz
t
_
1
z (E
1
+ i)
+
1
z (E
1
i)
_
(
1
(z)
1
(z
t
))
2
(E
1
z) (E
1
z
t
)
.
(4.50)
By the residue theorem :
A
1
=
(2)
2
i
2
_
(
1
(E
1
i)
1
(E
1
))
2
(
1
(E
1
+ i)
1
(E
1
))
2
_
.
Writing the Taylor series for
1
(E
1
i), one is left inside the paranthesis
with an expression of order
3
, and A
1
vanishes in the limit 0.
Next, take one of the terms involving the singular part of u
(z
t
) (we omit for the moment the constants t
L
, as well
as the matrix elements of P
1
)
A
2
=
1
_
dz
_
dz
t
(
1
(z)
1
(z
t
))
2
z (E
1
+ i)
1
E
1
z
_
dz
1
z
1
z
t
u
(z
1
). (4.51)
We see that the integral with respect to z
t
only involves analytic functions
in the disk [E
1
z
t
[ <
t
, therefore the integral vanishes.
Another term coming from the singular part of u
(z
t
) and the regular
part of u
_
dz
_
dz
t
(
1
(z)
1
(z
t
))
2
z (E
1
+ i)
1
E
1
z
t
_
dz
1
z
1
z
u
(z
1
)
=
2i
_
dz
(
1
(z)
1
(E
1
))
2
z (E
1
+ i)
_
dz
1
z
1
z
u
(z
1
), (4.52)
where in the second line we performed the integral with respect to z
t
. We can
also perform the integral with respect to z and get something proportional
with
1
(
1
(E
1
+ i)
1
(E
1
))
2
_
dz
1
z
1
E
1
u
(z
1
).
Using again the Taylor series we see that A
3
, thus it will dissapear as
well. The same thing happens with all the other terms.
25
Looking back at (4.39), we continue with the contribution of M
. Let
us rst bring M
(E, , ) = M
(1)
(E, , ) + M
(2)
(E, , ) (4.53)
where
M
(1)
(E, , ) (4.54)
:=
1
(j
R(E i)j
R(E i) j
R(E + i)j
R(E + i))
1
+
(j
R(E + i)j
R(E i) j
R(E + i)j
R(E i)),
while M
(2)
includes all terms with only one resolvent. Since ,= , and using
the trace cyclicity, the trace of M
(2)
:
g
(T, ) = lim
0
lim
0
i
2
_
2t
L
2t
L
dEf
FD
(E)Tr
1
_
M
(1)
(E, , )
_
. (4.55)
Now we apply again the identity (4.48) and we use the meromorphic
extensions of u
(T, ) = lim
0
lim
0
4
t
2
L
i
2
_
2t
L
2t
L
dEf
FD
(E)
_
C
(E, , )
D
(E, , )
+
_
.
(4.56)
with the following notations (see also (3.7) and (3.12)):
C
(E, , ) := (
(E i)
(E i))
2
u
(E i)u
(E i)
(
+
(E + i)
+
(E + i))
2
u
+
(E + i)u
+
(E + i)
(4.57)
D
(E, , ) := (
+
(E + i)
(E i))
2
u
+
(E + i)u
(E i)
(
+
(E + i)
(E i))
2
u
+
(E + i)u
(E i)
(4.58)
Since u
+
(E + i)
+
(E) = i
_
0
(
y
+
(E + iy))dy (4.59)
and use the explicit form of
+
to obtain the estimate
[
y
+
(E + iy)[ const
1
_
4t
2
L
E
2
(4.60)
which shows that
1
(T, ) = lim
0
4
t
2
L
i
2
_
2t
L
2t
L
f
FD
(E)
D
(E, , 0
+
)
dE. (4.61)
One remarks that with the notation
F(E, ) := (
+
(E + i)
(E))
2
u
+
(E + i)u
(E)
we have D
(E, , 0
+
) = 2iF(E, ) and
g
(T, ) = lim
0
4
t
2
L
1
_
2t
L
2t
L
f
FD
(E)
F(E, )
dE. (4.62)
Using (3.12) and (6.4) we see that F(E, i0
+
) = 0 and
'F(E, 0
+
) = 4[
+
(E)]
2
[u
+
(E)[
2
.
Taking the limit 0, we obtain in the integral the term (
F)(E, 0
+
).
Using the Cauchy-Riemann equations for u
+
and
+
, we get after some work
that we can replace (
F)(E, 0
+
) by (1/2)
E
'F(E, 0
+
). This also shows
that F is not analytic.
Integrating by parts and noticing that
+
(2t
L
)
(2t
L
) = 0 we proved
the following lemma:
Lemma 4.5. The conductance coecients g
(T, ) =
4
4
t
2
L
1
2
_
2t
L
2t
L
dE
f
FD
(E)
E
(
+
(E))
2
[u
+
(E)[
2
. (4.63)
27
4.3 Ending the proof of the main theorem
Before giving the nal step for the proof of the Landauer- B uttiker formula
let us briey review what we have done in this section. We started with the
scattering problem associated to the semi-innite leads case, the transmission
between two leads being found in Eq.(4.6). The rest of the work has been
done to obtain explicit expressions for the conductance coecients given by
the Kubo-type formula (4.17) when the thermodynamic and adiabatic limits
are taken.
To nish the proof of Theorem 2.1 there is not much to be done. First,
use the explicit expressions for
(T, ) =
4
4
t
2
L
1
2
_
2t
L
2t
L
dE
f
FD
(E)
E
sin
2
(k
E
)[u
+
(E)[
2
. (4.64)
Now comparing (4.64) and (4.6) one obtains (2.23) and we are done.
Notice that when T 0 we have
E
f
FD
(E ) and (2.24) follows.
The presence of
1
2
in those equations is not an accident. It makes more
sense if one carefully includes in computations the physical constants e and
(we have been working until now with the convention e = = 1). Without
giving details, we assure the reader that in the end the equality in (2.24)
becomes
g
(0
+
, ) =
e
2
2
T
() =
e
2
h
T
(), (4.65)
which is nothing else but the well-known Landauer formula at zero tempera-
ture. Remark that when the total particle density is xed, then represents
the Fermi energy of our system. When the leads become innite, the sample
does not contribute to the thermodynamic limit thus the Fermi energy is
xed by the leads. The proof of Theorem 2.1 is complete.
5 Resonant transport in a quantum dot
Up to now we allowed to be arbitrarily large, together with the assumption
that the Hamilton operator for the system with semi-innite leads K had no
eigenvalues at 2t
L
. In this section we are interested in small coupling, that
is when 0.
28
Assume that the Hamiltonian describing the sample H
S
has J 1 (pos-
sibly degenerate) eigenvalues E
1
, . . . , E
J
so that
(H
S
) [2t
L
, 2t
L
] = E
1
, . . . , E
J
(2t
L
, 2t
L
). (5.1)
We are not interested in possible eigenvalues outside [2t
L
, 2t
L
] since for
small they will still remain discrete eigenvalues for K and we saw that they
do not contribute to transport. Now we focus on the inuence of E
1
, . . . , E
J
(, ) = 0. (5.2)
(ii). Fix = E
j
. If either
S
,
j
) or
S
,
j
) is zero, then
lim
0
T
(E
j
, ) = 0. (5.3)
(iii). Fix = E
j
. If both
S
,
j
) and
S
,
j
) are dierent from zero, then
there exists a positive constant C
j
(E
j
) such that
lim
0
T
(E
j
, ) = C
j
S
,
j
)
S
,
j
)
M
=1
[
S
,
j
)[
2
2
. (5.4)
Remark. The physical signicance of this proposition is quite transparent.
It states that at small coupling, the following things happen: 1. If the
energy of the incident electron is not close to the eigenvalues of H
S
, it will
not contribute to the current. 2. If the incident energy is close to some
eigenvalue E
j
, but the eigenfunction
j
is not localized around both coupling
points
S
and
S
, then again there is no current. 3. In order to have a peak in
the current, it is necessary for H
S
to have extended edge states, which couple
several leads. A numerical analysis of the Harper operator on large domains
with Dirichlet boundary conditions puts into evidence such extended edge
states as well as the existence of bulk states concentrated in the middle of
the dot (see [21] and [27]).
29
Proof. We split the proof into several technical results. We will not assume
that E
j
s are nondegenerate unless stated otherwise.
Lemma 5.2. Consider u
2
sup
(2t
L
,2t
L
)
[u
+
(, )[
_
< .
Proof. Notice that the lemma roughly says that u
+
() cannot blow up
worse than 1/
2
when is small. In other words, its eventual poles have an
imaginary part of order
2
when is small.
Clearly, if is smaller than some
0
> 0, then by usual perturbation
theory we get that for all located outside some small discs (with radii
determined by
0
) centered at E
j
J
j=1
(the eigenvalues of H
S
), we have
[[(H
+
() )
1
[[ C max
j1,...,J
[E
j
[
1
,
thus we only need to look at what happens in each interval of the form
(E
j
, E
j
+ ).
Assume that E
j
is n-fold degenerate. Denote by
j
the n-dimensional
projector corresponding to E
j
. The operator
j
j
has a (possibly trivial)
null space in Ran(
j
), and denote by p
j
the projector corresponding to it.
Denote by p
j
=
j
p
j
the projection corresponding to the orthogonal
complement of Ran(p
j
) in Ran(
j
). It is easy to see that there exists a
positive constant C
j
such that
p
j
T
p
j
C
j
p
2
j
. (5.5)
Indeed, this is implied by the fact that the operator is non-negative and with
trivial null space.
Denote by q
j
= Id p
j
. Since
T
p
j
= 0, and reasoning as in (3.9) we
have
(H
+
() )
1
(E
j
)
1
p
j
= q
j
[q
j
(H
+
() )q
j
]
1
q
j
.
Only the right hand side will contribute to u
+
since p
j
S
= 0. The proposi-
tion would be proven if we can show the estimate (on Ran(q
j
))
[[[q
j
(H
+
() )q
j
]
1
[[ C/
2
(5.6)
for near E
j
.
30
Notice that q
j
= p
j
+ (Id
j
), i.e. it is the orthogonal sum of some
part of
j
and the projectors corresponding to all other eigenvalues of H
S
dierent from E
j
. Denote by A
j
:= q
j
(H
+
() )q
j
.
Remark that (Id
j
)A
j
(Id
j
) is well-behaved when is close to E
j
because it essentially equals (Id
j
)(H
S
)(Id
j
) plus a perturbation of
order
2
. Applying the Neumann series again, we get that on Ran(Id
j
):
[[[(Id
j
)A
j
(Id
j
)]
1
[[ const (5.7)
for close to E
j
and small enough. Hence if p
j
= 0, this estimate implies
[[[q
j
(H
+
() )q
j
]
1
[[ const (5.8)
which implies (5.6) and we are done.
If p
j
,= 0, we again apply the Feshbach lemma for the operator A
j
, intend-
ing to reduce the problem to the subspace Ran( p
j
). Then A
j
is invertible in
Ran(q
j
) i the operator
X
j
:= p
j
A
j
p
j
p
j
A
j
(Id
j
)[(Id
j
)A
j
(Id
j
)]
1
(Id
j
)A
j
p
j
(5.9)
is invertible in Ran( p
j
), and their inverses will have the same estimate on
their norm when is small. It is not dicult to see that the second term in
(5.9) is of order
4
when is near E
j
. We can then write
X
j
= p
j
A
j
p
j
+O(
4
). (5.10)
But the operator
p
j
A
j
p
j
= E
j
(
2
/t
L
)
+
() p
j
T
p
j
(5.11)
is one to one (thus invertible) because for every f Ran( p
j
) with norm one
we have (see also (6.4))
[[ p
j
A
j
p
j
f[[ [f, A
j
f)[ [(f, A
j
f))[ = (
2
/t
L
)
_
1
2
/(4t
2
L
)f,
T
f),
and using (5.5) we get
[[ p
j
A
j
p
j
f[[ (
2
/t
L
)
_
1
2
/(4t
2
L
)C
j
,
which leads to
[[[ p
j
A
j
p
j
]
1
[[ const 1/
2
.
31
Using this in (5.10) by employing again the Neumann series, we get that for
small and near E
j
we have
[[X
1
j
[[ const 1/
2
,
thus (5.6) is proven, and so is the lemma.
Remark. We see that if p
j
,= 0, its range is spanned by eigenvectors of K
corresponding to E
j
. But they do not contribute in any way to u
+
.
Corollary 5.3. We use the notation introduced in the previous lemma. As-
sume that E
j
is n-fold degenerate.
(i). For every (2t
L
, 2t
L
) with , E
1
, . . . , E
J
we have
lim
0
2
[u
+
(, )[ = 0. (5.12)
(ii). Fix = E
j
. Assume p
j
= 0. Then
lim
0
2
[u
+
(E
j
, )[ = 0. (5.13)
(iii). Fix = E
j
. Assume that p
j
,= 0. Then p
j
T
p
j
is positive on Ran( p
j
)
and
lim
0
2
[u
+
(E
j
, )[ = t
L
[
S
, p
j
[ p
j
T
p
j
]
1
p
j
S
)[. (5.14)
Proof. (i). By regular perturbation theory, we see that [u
+
(, )[ remains
bounded when tends to zero, while is xed and away from the eigenvalues
of H
S
. Hence (5.12) is straightforward.
(ii). If p
j
= 0 and = E
j
, the estimate (5.8) implies again that
[u
+
(E
j
, )[ remains bounded when tends to zero, thus (5.13) follows.
(iii). If p
j
,= 0 and = E
j
, we rely on the properties of the inverse on
Ran( p
j
) of the operator p
j
A
j
p
j
introduced in (5.11). A consequence of the
arguments presented in the previous proposition is that for close to E
j
we
have
u
+
()
S
, p
j
[ p
j
A
j
p
j
]
1
p
j
S
) = O
(1). (5.15)
Then using (5.11) with = E
j
, and the fact that [
+
()[ = 1, the result
follows easily. The corollary is proven.
Ending the proof of Proposition 5.1. The proof is easily obtained by
replacing (5.12), (5.13) and (5.14) in (4.6), in the nondegenerate case. We
do not give more details.
32
We see that in the degenerate case it is not that simple to give clear
criteria for which the current is zero or not in the small coupling regime.
Assume that E
j
is n-fold degenerate. Denote by
(s)
j
n
s=1
the normalized
eigenvectors of H
S
spanning the range of
j
. A sucient condition for the
right hand side of (5.14) to be zero for every and , is
j
to be orthogonal
to
T
. In other words,
S
,
(r)
j
) = 0 for every 1 M and 1 r n.
Physically, this means no contact at all between the leads and the mode E
j
.
A necessary but not sucient condition for the right hand side of (5.14) to
be dierent from zero is to have p
j
,= 0. The proposition is proven.
We continue this section with a result giving more information about the
poles in the case when is small and we are near a nondegenerate eigenvalue
of H
S
.
Assume that the eigenvalue E
1
(2t
L
, 2t
L
) of H
S
is nondegenerate. We
denote the corresponding normalized eigenvector with
1
, i.e. H
S
1
= E
1
1
.
It is clear that one of the following two alternatives is true:
A
1
: there exists
1
1, . . . , M such that
1
,
1
S
) , = 0,
A
2
: for every 1, . . . , M we have
1
,
S
) = 0.
If A
1
holds, then
1
is coupled with at least one lead; if A
2
holds, then the
coupling is absent.
Dene the projection
L
=
M
=1
[0
)0
[. By direct computation we
have (see (3.7) and (3.1))
L
(K z)
1
L
=
1
(z)
t
L
M
=1
[0
)0
[ +
2
1
(z)
t
2
L
M
,=1
[0
)u
(z)0
[. (5.16)
Then the weighted resolvent
L
(Kz)
1
L
admits a meromorphic extension
to any domain of the form C
+
(see (3.5)).
Proposition 5.4. i. For small enough , the weighted resolvent
L
(K
z)
1
L
has a simple pole near E
1
(denoted by
E
1
()).
ii. If A
1
holds true, then for > 0 small enough the pole
E
j
() is a resonance
for K with
lim
0
('(
E
1
()) E
1
)/
2
=
E
1
2t
2
L
M
=1
[
1
,
S
)[
2
,
33
and
lim
0
(
E
1
())/
2
=
_
4t
2
L
E
2
1
2t
2
L
M
=1
[
1
,
S
)[
2
.
iii. If A
2
holds for
1
then
E
1
() = E
1
and
1
remains an eigenvector for
K, i.e. K
1
=
E
1
1
.
Proof. Let us focus on what happens near E
1
in case when A
1
holds. Denote
with P
1
the spectral projection of H
S
corresponding to
1
, and with Q
1
=
Id P
1
its orthogonal. Feshbach lemma gives:
(H
+
(z) z)
1
= (Q
1
H
+
Q
1
z)
1
+ (1 (Q
1
H
+
Q
1
z)
1
Q
1
H
+
P
1
)
(
H
+
(z) z)
1
(1 P
1
H
+
Q
1
(Q
1
H
+
Q
1
z)
1
) (5.17)
where the new eective Hamiltonian
H
+
(z) is dened by
H
+
(z) := P
1
H
+
(z)P
1
P
1
H
+
Q
1
(Q
1
H
+
Q
1
z)
1
Q
1
H
+
P
1
, (5.18)
and lives in a one dimensional space. With the notation
f
1
(z, ) :=
M
,=1
i,i
,=1
4
t
2
L
2
+
(z)
1
[
S
)
S
[
i
)
i
[(Q
1
H
+
Q
1
z)
1
[
t
i
)
t
i
[
S
)
S
[
1
)
we have that for small enough , H
+
(z) z is invertible i the function
F
1
(z, ) := E
1
z
2
t
L
+
(z)
M
=1
[
j
,
S
)[
2
f
1
(z, )
is dierent from zero. Notice that for small enough and z near E
1
we have
f
1
(z, ) = O(
4
).
For small and with z near E
1
, the implicit function theorem provides
us with a unique solution
E
1
() to the equation F
1
(z, ) = 0.
If we dene
T
1
(z, ) := (Q
1
H
+
Q
1
z)
1
Q
1
H
+
P
1
P
1
H
+
Q
1
(Q
1
H
+
Q
1
z)
1
+ (Q
1
H
+
Q
1
z)
1
Q
1
H
+
P
1
H
+
Q
1
(Q
1
H
+
Q
1
z)
1
,
34
then we can write
(H
+
z)
1
=
1
F
1
(z, )
[P
1
+T
1
] + (Q
1
H
+
Q
1
z)
1
. (5.19)
It is easy to see that T
1
is analytic in z near E
1
and of order O(
2
). Now we
have to take the matrix elements
S
[(H
+
(z) z)
1
[
S
) to obtain u
(z) in
Eq.(5.16). It turns out that
L
(K z)
1
L
= bounded & analytic
+
2
+
(z)
t
2
L
M
,=1
_
S
[
1
)
1
[
S
) +
S
[T
1
[
S
)
F
1
(z, )
_
[0
)0
[
Moreover, since we can show that
F
1
(z, )/(E
1
() z) = 1 +O(
2
)
for z in a small neighborhood of E
1
, we conclude that
L
(K z)
1
L
= bounded & analytic
+ (1 +O(
2
))
2
+
(z)
t
2
L
M
,=1
[
1
)
1
[) +O(
2
)
E
1
() z
[0
)0
[.
Therefore the second statement of the proposition is now proved up to a
straightforward application of the implicit function theorem for the claimed
properties of
E
1
(). The third statement is also straightforward.
6 Appendices
6.1 Appendix 1: The discrete Laplacian on the half-
line
Denote by [n)
n0
the standard basis in l
2
(N). For t
L
> 0, consider the
operator H
L
which acts on l
2
(N) as follows:
(H
L
)(j) = t
L
(j + 1) + t
L
(j 1), j 0, (1) := 0.
35
It is well-known that the spectrum of H
L
(z)n) =
1
t
L
(
2
1
)
_
1
(z)
[mn[
1
(z)
m+n+2
_
(6.1)
where
1,2
are solutions of the equation
t
L
2
z + t = 0 (6.2)
and
1
is chosen such that [
1
[ 1/[z[ at innity (notice that
1
2
= 1).
Let us be more precise and give several explicit representations for
1
. By
ln(x) = ln([x[) + i arg(x) we understand the principal branch of the natural
logarithm dened on C(, 0], and arg(x) (, ). Accordingly, we put
x := e
(1/2) ln(x)
=
_
[x[e
(i/2) arg(x)
.
Proposition 6.1. We have the following properties:
i. Assume that z , [2t
L
, 2t
L
]. Then
1
(z) =
z
2t
L
_
1
_
1 4t
2
L
/z
2
_
. (6.3)
ii. Consider the holomorphic functions
(z) =
z
2t
L
i
_
1 z
2
/(4t
2
L
), z , ((, 2t
L
] [2t
L
, )). (6.4)
Then
1
(z) =
+
(z) if (z) > 0, and
1
(z) =
n=0
H
a
n
, H
a
0
:= C.
Here the subscript a indicates the total antisymmetrization of the tensor
products. Let B = e
k
k1
be an orthonormal basis in H. Then we can
construct the occupation number basis in T
a
(H) associated to B; we denote
a generic vector in it as
N
1
,N
2
,...
, where the N
k
s are numbers (either 0 or 1)
showing how many times e
k
appears in the tensor products dening . For
example,
0,0,...
= 1 C is the vacuum.
The annihilation operators associated to this particular basis are dened
as
a
N
1
,N
2
,...,N
=0,...
= 0, a
N
1
,N
2
,...,N
=1,...
= (1)
<
N
N
1
,N
2
,...,N
=0,...
,
while their adjoints (the creation operators) are
a
+
N
1
,N
2
,...,N
=1,...
= 0, a
+
N
1
,N
2
,...,N
=0,...
= (1)
<
N
N
1
,N
2
,...,N
=1,...
.
If A is a bounded linear operator in H, we dene its second quantization
A = d(A) as the operator on T
a
whose restriction to H
a
n
is
A Id . . . Id + + Id . . . Id A,
where the above sum has n terms. Using the particular basis B we have
A = d(A) =
k,j1
e
k
, Ae
j
)a
+
k
a
j
. (6.5)
For example, the total Hamiltonian is H = d(H), and the number operator
is N = d(Id).
Now assume that H has nite but arbitrarily large dimension; dene the
grand-canonical partition function and the density matrix operator in the
grand-canonical ensemble
0
as
:= Tr
T
a
e
(HN)
,
0
:=
1
e
(HN)
. (6.6)
Finally, dene
f
FD
(x) =
1
e
(x)
+ 1
,
0
:= f
FD
(H). (6.7)
The following proposition will be extensively used in Section 3:
37
Proposition 6.2. Let A and B be bounded operators in H. Denote by
[A, B] = AB BA their commutator. Then
d([A, B]) = [A, B], (6.8)
e
A
Be
A
= d(e
A
Be
A
). (6.9)
and
Tr
T
a
(
0
A) = Tr
1
(
0
A) . (6.10)
Proof. The rst identity is easily proven using the anticommutation relations
[A, B] =
k,j,m,n
e
k
, Ae
j
)e
m
, Be
n
)[a
+
k
a
j
a
+
m
a
n
a
+
m
a
n
a
+
k
a
j
]
=
k,j,m,n
e
k
, Ae
j
)e
m
, Be
n
)[a
+
k
a
n
jm
a
+
m
a
n
kn
]
=
k,j
e
k
, (AB BA)e
j
) = d([A, B]),
while the second one is implied by the rst equality, the Baker-Haussdorf
formula
e
A
Be
A
= B+ [A, B] +
1
2
[B, [B, A]] + . . . ,
and the linearity of d().
We give more details for the third identity (see also Proposition 5.2.23
in [7]). Since the trace is invariant with respect to the basis we use, we
may assume that the basis B = e
k
is the set of eigenvectors of H, and
we consider the occupation number basis derived from B. Also denote the
eigenvalues of H with
k
.
We know then that
=
k
(1 + e
(
k
)
) < (6.11)
and we write
Tr
T
a
(
0
A) =
N
1
,N
2
,0,1
N
1
,N
2
,...
,
0
A
N
1
,N
2
,...
).
Since
0
N
1
,N
2
,...
=
1
j
N
j
(
j
)
N
1
,N
2
,...
=
1
j
e
N
j
(
j
)
N
1
,N
2
,...
,
38
and
N
1
,N
2
,...
, A
N
1
,N
2
,...
) =
k,m
e
k
, Ae
m
)
N
k
,1
N
m
,1
k,m
,
we have
Tr
T
a
(
0
A) =
k
e
k
, Ae
k
)
1
N
1
,N
2
,0,1
j
e
N
j
(
j
)
N
k
,1
.
Notice that
N
1
,N
2
,0,1
j
e
N
j
(
j
)
N
k
,1
= (1 + e
(
1
)
)
(1 + e
(
2
)
) . . . e
(
k
)
. . . (1 + e
(
j
)
) . . . , (6.12)
hence
1
N
1
,N
2
,0,1
j
e
N
j
(
j
)
N
k
,1
= f
FD
(
k
)
and therefore
Tr
T
a
(
0
A) =
k
e
k
, Ae
k
)f
FD
(
k
) = Tr
1
(
0
A).
6.3 Appendix 3: A discrete Krein formula and expo-
nential decay
We now give a formula relating the resolvent of the discrete Laplacian dened
on l
2
(^), ^ := 0, 1, . . . , N, with the resolvent of the Laplacian dened
on l
2
(N); both operators are with Dirichlet boundary conditions. We denote
with r
L
(N, z) the resolvent on the nite segment, and with r
L
(z) the resolvent
on the semi-innite lead; we use small letters for emphasising that we model
only one lead. The operator itself is denoted by h
L
(N) when restricted to a
segment, and by h
L
on l
2
(N).
39
We need some more notation. By
m
we understand the vector in l
2
(^)
having 1 on the m-th position and 0 elsewhere. Dene for every z C R
the integral kernels:
g
m,n
(N, z) =
m
, r
L
(N, z)
n
), g
m,n
(z) =
m
, r
L
(z)
n
). (6.13)
The Dirichlet boundary condition means:
g
1,n
(N, z) = g
N+1,n
(N, z) = g
1,n
(z) = 0, (6.14)
and similar equalities for the second argument due to the symmetry property
g
m,n
(N, z) = g
n,m
(N, z).
Proposition 6.3. For every 0 m, n N we have the following Krein
formula:
g
m,n
(N, z) g
m,n
(z) = t
L
g
m,N
(N, z)g
N+1,n
(z). (6.15)
Proof. We only sketch the proof, and do not give all technical details.
For every xed n, the vectors g
,n
(N, z) and g
,n
(z) are in l
2
(^) and l
2
(N)
respectively. Then
_
(h
L
(N) z)g
,n
(N, z)
(m) =
m,n
,
_
(h
L
z)g
,n
(z)
(m) =
m,n
. (6.16)
Then we have after summation by parts the identity (the scalar products
are on l
2
(^))
_
(h
L
(N) z)g
,m
(N, z)
, g
,n
(z)
_
=
g
,m
(N, z), (h
L
z)g
,n
(z)
_
t
L
g
m,N
(N, z)g
N+1,n
(z) (6.17)
where we employed various symmetry properties of the kernels, together with
(6.14). The use of (6.16) nishes the proof.
Finally, we need an exponential decay estimate for the resolvents, given
next:
40
Proposition 6.4. There exist two positive constants c and C (the rst one
small enough, the second one large enough) such that uniformly on N and z
with 0 < [(z)[ < 1 we have
[g
m,n
(N, z)[
C
[(z)[
exp (c[(z)[ [mn[), m, n ^. (6.18)
The same remains true when N = .
Proof. This proposition is nothing but a discrete (and simpler) version of
the usual Combes-Thomas argument (see [10]) which leads to boundedness
for resolvents between spaces with exponential weights. Dene the discrete
dilation for > 0
(W
)(n) = e
n
(n) (6.19)
Then by direct computation the dilated Hamiltonian H() = W
HW
acts like
(H())(n) = e
(n + 1) + e
(n 1)
= (H)(n) + (e
1)(n + 1) + (e
1)(n 1)
= ((H + V ()))(n)
where the perturbation V () := (e
1)T
1
+ (e
1)T
1
, T
1
being the
shift operators. Noticing that V () is roughly of O(), and if c[(z)[
where c is a small enough positive constant, we can write
(H() z)
1
= (H z)
1
_
1 + V ()(H z)
1
_
1
(6.20)
where the second part is invertible and its norm is less than a chosen constant
(2 say). Hence,
|(H()z)
1
| |(Hz)
1
| |
_
1 + V ()(H z)
1
_
1
|
2
[(z)[
. (6.21)
Dene the following vectors in l
2
(^) (the exponential is on the m-th posi-
tion):
mn
= (0, 0, ..., e
iarg(g
mn
(N,z))
, ..., 0, 0), m n. (6.22)
Then
41
mn
, W
(H z)
1
W
n
) = e
(mn)
[g
mn
(N, z)[
=
mn
, (H() z)
1
n
)
C
[(z)[
,
from where the claimed estimate follows.
Acknowledgments. The authors wish to thank G. Nenciu and F. Bentosela
for valuable discussions, and Y. Avron for pointing out several references.
V.M. is indebted to P. Gartner for introducing him to this subject. H.C.
acknowledges partial support through the European Unionss IHP network
Analysis & Quantum HPRN-CT-2002-00277.
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