Beruflich Dokumente
Kultur Dokumente
D.A. Ryndyk
Landauer-B
uttiker method
Current from transmission
Quantum scattering theory
Landauer-B
uttiker formulas
Derivation from linear response theory
16
1 Landauer-B
uttiker method
property of the reservoirs is that they are equilibrium and incoherent. The
main property of the quantum leads is that they have known mode structure,
incoming (from the contacts to the scatterer) + (r) and outgoing (r) modes
can be dened. In the simplest case the leads are noninteracting, but can be
nonequilibrium. Scattering region can be as simple as one tunneling barrier,
or as complex as an interacting nonequilibrium molecule.
Sometimes one of these components can be absent or they are combined.
Examples: 3D tunneling or transport through molecules and quantum dots
placed between 3D contacts, leads are combined with reservoirs; ballistic
quantum wires, quantum point contact, and billiards, no scattering region
or quantum lead can be considered as scatterer.
In this lecture we consider completely coherent transport between reservoirs, which one are, of cause, incoherent. If a particle come into reservoir, it is
thermalized and any phase information is lost. Transport through a coherent
region is described by the wave function. It means that we do not consider
inelastic eects inside the scattering region, and elastic scattering is described
by some potential U (r).
1.1.2 The single-channel Landauer formula
The main idea of the method was formulated by Landauer [2, 3]. He proposed,
that the conductance of the elastic scatterer is determined by the quantum
mechanical transmission T (reection R = 1 T ) coecient. It should be
noted, that Landauer considered not the resistance of a quantum system between the equilibrium contacts, but the local resistance of a system itself
(in fact, the zero-temperature residual resistance). As a result he got for the
zero temperature one-channel (eectively one-dimensional) conductance the
so-called rst Landauer formula
2
T
e2 T
= e
=
,
G
h 1T
h R
(1.1)
Leads
Left
reservoir
(contact)
Right
reservoir
(contact)
Scattering
region
Fig. 1.1. A scattering region is connected to the reservoirs trough quantum leads.
17
e2
T.
h
(1.2)
This conductance is nite just in the case of a perfectly transmitted junction (T = 1). The contradiction between two formulas was unexpected and
stimulated active discussion. Finally, it was shown that both formulas are
reasonable and give the same current, but correspond to the voltages dened
between dierent points. The key dierence between the formulas (1.1) and
(1.2) is that the rst one is for the conductance inside the System (between
points A and B, see Fig.1.8), while the second gives the conductane of the QS
related to the equilibrium contacts (between points L and R in the Fig.1.8).
In the section 1.3.3 we obtain both formulas and discuss the relation between
it. The puzzle with the nite resistance at T 1 is also understood, it is
clear now that for the nite number of conductance channels the conductance
is also nite, just without scattering and at zero temperature. The physical
reason is that the number of electrons going trough the System is limited,
as well as the current associated with one electron state, consequently the
average current is determined by the number of channels, their transmission,
and the level population.
For the transport problems, considered in these lectures, only the second
type of the Landauer formula is important usually. Besides, the rst type
formulas are not exact for nite-size nanostructures, because are dependent
on the particular electrical potential distribution.
1.1.3 The multi-channel Landauer (Fisher-Lee, B
uttiker) formulas
Now let us mention the main extensions of the formula (1.2), which will be
discussed in the lecture. Of the principal importance is the extension of the
single-channel formula to the multi-channel case.
The zero temperature multi-channel conductance is given by the Fisher-Lee
formula [5]
e2
e2 e2
|t |2 =
Tn ,
(1.3)
G = Tr tt =
h
h
h n
18
1 Landauer-B
uttiker method
e
T (E, V ) [fL (E + eV ) fR (E)] dE,
(1.4)
h
where T (E, V ) = Tr tt is the eective transmission function for the particles with the energy E. The most important advantage of this formula is,
that the transmission function can be calculated from the quantum scattering
theory. Thus, the kinetic problem is reduced to the pure quantum mechanical
problem of a single particle in a static potential. The formula (1.4) is the
most general two-terminal formula. All other Landauer formulas (in particular mentioned above zero-temperature conductance formulas) are obtained in
the limiting cases from (1.4).
The next important contribution has been done by B
uttiker, who extended
the Landauer formula to a multi-terminal case [7, 9]. In particular, fourterminal description (Fig. 1.8) is of great importance for experiments. The
current from the i-th contact to the System is
e
T ij (E, V ) [fi (E + eVij ) fj (E)] dE,
(1.5)
Ji =
h
J(V ) =
j=i
where Vij is the voltage between contacts i and j. We consider the multiterminal formulas in the section 1.3.4.
1.1.4 The origin of dissipation
The important question, discussed in connection with the Landauer resistance,
is the origin of dissipation in this approach. Indeed, nite dc current at nite dc
voltage means that the energy is permanently dissipated. On the other hand,
we consider only elastic scattering, so that the energy can not be dissipated
in the scattering process. This problem is closely related to the phenomena
of the residual resistance at low temperature, caused by impurities. In both
cases we should introduce some thermalisation. In the case of the transport
between the equilibrium contacts, this puzzle is resolved quite easy, the energy
is dissipated in the contacts, the details of the dissipation are not relevant.
More precisely, the incoming from the contacts to the System particles are
equilibrium distributed, while outgoing particles propagate into the contacts
and are thermalised here.
U(z)
A+
19
B-
Incoming wave
Transmission
A-
U0
Reflection
0
(1.6)
(z +) =B e
(1.7)
(1.8)
where A+ is the incoming and A , B are the outgoing waves (Fig. 1.2). Wave
vectors k and k are dened as
2mEz
k=
,
(1.9)
h
2m(Ez U0 )
.
(1.10)
k =
h
To determine the transmission and reection probabilities, we should use
conservation of probability ux density (current)
20
1 Landauer-B
uttiker method
f=
i
h
[(r) (r) (r)(r)] .
2m
(1.11)
(1.12)
(1.13)
For the plane wave Aeikz the probability ux density (current) is reduced
to
k 2
h
|A| = v|A|2 .
(1.14)
m
We dene the transmission coecient as the ratio of the transmitted to
incident probability ux
f=
T (Ez ) =
ftran
v |B |2
k |B |2
=
=
,
finc
v |A+ |2
k |A+ |2
(1.15)
and the reection coecient as the ratio of the reected to incident probability
ux
fref
|A |2
R(Ez ) =
=
.
(1.16)
finc
|A+ |2
From the probability ux conservation it follows that
T (Ez ) + R(Ez ) = 1.
(1.17)
Note, that if we consider the incident wave from the right side of the
barrier, transmission coecient is the same at the same energy
TRL (Ez ) = TLR (Ez ).
(1.18)
(1.19)
(z) =
21
(1.20)
2mEz
k=
.
h
Boundary conditions are
(0) = (0+),
2m
(0+) (0) = 2 (0).
h
(1.21)
(1.22)
We can
present this boundary condition using transmission matrix M
h2 k
K=
m
i
B
1 + Ki
B
A+
K
=M
=
,
(1.23)
A
B+
B+
Ki 1 Ki
or, alternatively, scattering matrix S
A
B
=S
A+
B+
1
iK
iK1 iK1
iK
1
iK1 iK1
A+
B+
.
(1.24)
The scattering matrix relate the amplitudes of the outgoing waves to the
amplitudes of incoming waves.
To nd transmission and reection coecients we set now B+ = 0, then
A+
B-
A-
B+
0
22
1 Landauer-B
uttiker method
T (E) =
vL |B |2
vL
vL
1
K2
=
=
,
|S21 |2 =
2
2
vR |A+ |
vR |M11 |
vR
1 + K2
R(E) =
|M21 |2
1
|A |2
=
= |S11 |2 =
,
|A+ |2
|M11 |2
1 + K2
(1.25)
(1.26)
T + R = 1.
The transmission matrix can be written explicitly in terms of transmission
and reection coecients
1
r
M = tr 1t ,
(1.27)
t
t
as well the scattering matrix in terms of the elements of M
1
M12
M11 M11
.
S=
1
M12
M11
M11
(1.28)
M22 = M11
,
M21 = M12
,
|M11 |2 |M12 |2 = 1.
(1.29)
Descriptions by scattering or transmission matrices are completely equivalent and the choice is only dependent on the convenience and the problem
to be solved. Typically, in the end of a calculation the S-matrix should be
obtained, because it determines the conductivity by the Landauer formula.
But to calculate the scattering by the complex system, the M-matrix can be
convenient, as we shall see in the next section.
1.2.3 Transfer matrix
Consider two sequential barriers with transmission matrices M and M
(Fig. 1.4), so that
A+
B
A+
B
=M
,
=M
.
(1.30)
A
B+
A
B+
Outgoing coecients B and incoming coecients A are related by transfer
matrix MW
ikL
0
B
A+
e
A+
= MW
=
.
(1.31)
B+
A
A
0 eikL
To show that in the most simple way, note that B eikz and A+ eikz describe
the same plane wave in two dierent points z = 0 and z = L, the phase
dierence is obviously kL.
23
(1.32)
(1.33)
(1.35)
T12
,
T12 + 4R1 cos2 (kL )
(1.36)
where is the phase of the complex M11 . T1 and R1 are transmission and
reection coecients of the single barrier (here we assumed that the two
barriers are the same).
A+
B-
A+
B-
A-
B+ A-
B+
24
1 Landauer-B
uttiker method
From this general expression one can see the important property of twobarrier structures: there are transmission resonances, at some specic energies
En the transmission coecient is large (T (En ) = 1 in symmetric structures),
while between resonances it can be small.
1
i
, = arctan
=
When the barriers are -functions M11 = 1 +
K
K
m
arctan 2 and the equation for resonances (T = 1) is
h k
tan kL =
2k
h
.
m
(1.37)
Breit-Wigner formula
Close to the resonance, around one of the resonance energies En , the transmission coecient has a Lorentzian form
T (E)
n2
,
(E En )2 + n2
(1.38)
2h2 En T12
mL2 R1
1/2
.
(1.39)
A1+
A1-
B1+
B1-
An+
An-
Bm+
Bm0
25
(1.40)
(1.41)
(1.42)
(1.43)
Scattering matrix relate all incoming with all outgoing modes, so that just
in the one-channel case, considered in the rst lecture S is 2 2 matrix (1.24).
In the general multi-channel case S-matrix is dened as
... S1N
A1+
A1+
A1
S11 S12
... S21
...
...
S22
... S2N
ANL
(1.44)
B1+ ... ... ... ... B1+
B1
vn |A2n+ | =
vn |An |2 ,
(1.46)
where vn = h
kn /m are velocities.
Note that these velocities are dierent, because the energy E = En + Ez
is conserved, scattering from the mode n into mode m means that transverse
energy En is changed and dierent modes coupled by (1.44) have dierent Ez
and consequently dierent wave vectors kn and velocities vn .
To make the S matrix unitary, we introduce new normalization of incoming
and outgoing modes
1
+
(r) = Ln (x, y)An+ eikn z ,
Ln
kn
1
Ln
(r) = Ln (x, y)An ekn z ,
kn
1
+
Rm (r) = Rm (x, y)Bm+ eikm z ,
km
1
Rm
(r) = Rm (x, y)Bm eikm z .
km
and a new matrix S with elements
Snm =
kn
S .
km nm
(1.47)
(1.48)
(1.49)
(1.50)
(1.51)
26
1 Landauer-B
uttiker method
r t
t r
(1.52)
1.3 Landauer-B
uttiker formulas
In this section we obtain all results in a physically transparent way. The
example of a rigorous calculation of the conductance using the linear response
theory, is presented in the section 1.4.
1.3.1 Mode-conserving current
Now we want to show, how the transmission coecient can be used to calculate
the current through a quantum system. We start from the mode-conserving
scattering. The main assumption is that all the particles coming from the
left to the barrier and having nonzero transmission coecient are transmitted through the barrier with probability T (Ez ) and after that their excess
energy, phase coherence, and the memory of their previous state are lost in
the right contact. The same takes place for all particles coming from the right
and transmitted to the left. Transport through the barrier is coherent in this
model, energy and transverse quantum number (e.g. momentum k ) are
conserved. Irreversibility is introduced by the after-transmission relaxation.
The current from the left to the right is determined by the distribution
function only of the left contact
dkz
,
(1.53)
JLR = e
TLR (kz )vLz (kz )fL (kz , )
2
0
where vLz (kz ) is the velocity of the particle with momentum kz , fL (kz , ) is
the distribution function, the form of this function is considered below. Note
that it is not necessary to multiply this expression additionally by the factor
like (1 fR ((kz , )) as in the tunneling or golden rule theory, because this
factor describes the number of empty states in the right contact and should
be included when left and right states are considered as independent. Instead,
1.3 Landauer-B
uttiker formulas
27
e
=
h
Ez (kz )
,
hkz
(1.54)
UL
and similar expression for the current from the right to the left
e
JRL =
TRL (Ez )fR (Ez , )dEz ,
h
UR
(1.55)
note that integration in this expressions is done from the bottom of conduction band UL(R) . If the zero energy level is taken the same for left and right
contacts, the energy Ez is the same one-dimensional energy in the both expressions, and taking into account the symmetry of transmission coecients
(1.18) we get nal expression for the current
e
T (Ez ) [fL (Ez , ) fR (Ez , )] dEz .
(1.56)
J=
h
+1
fR (Ez , ) =
.
+1
(1.57)
This case, however, is quite dicult to realize in nanostructures, because
any change of particle density causes the change in the electric eld, so that in
fact a dierence in electro-chemical potentials
= + e with approximately
L
R =
the same chemical potentials (L = R = ), e.g. voltage dierence (
eV ) takes place (Fig. 1.6, right).
In this case expression (1.56) should be used with care! First of all, the
potential U (z) is now a function of applied voltage, and consequently the
transmission coecient is a function of voltage too. And the energy shift in a
distribution function should be taken into account. One obtains
e
T (Ez , V ) [fL (Ez , , V ) fR (Ez , )] dEz ,
(1.58)
J(V ) =
h
exp
Ez +E L
T
exp
Ez +E R
T
28
1 Landauer-B
uttiker method
U(z)
mL
mR
mL+eV
U(z)
mR
Fig. 1.6. Energy diagrams for chemical potential dierence (left) and voltage difference (right).
with
fL (Ez , , V ) =
exp
1
Ez +E eV
T
+1
fR (Ez , ) =
exp
1
Ez +E
T
.
+1
(1.59)
1.3 Landauer-B
uttiker formulas
29
electrons are populated only by the right reservoir (Fig. 1.7). We can say that
right moving electrons have the (pseudo-) electro-chemical potential
L , while
left moving electrons
R . Of course, the state of electrons inside the wire
is not equilibrium, and these left and right chemical potentials give the
number and energy of corresponding particles in the channel, but they are
not usual thermodynamic potentials.
Now we simply use the expression for the current. Distribution functions
in the contacts at zero-temperature are step-functions
fL (Ez , , V ) = ( + eV Ez E ),
fR (Ez , ) = ( Ez E ),
the current is
J(V ) =
e
h
(1.60)
(1.61)
T (Ez , V ) [( + eV Ez E ) ( Ez E )] dEz =
=
e
h
E +eV
T (Ez , V )dEz =
E
e2
N V,
h
(1.62)
L = + eV and
G=
e2
N.
h
(1.63)
Where does the resistance of a perfect wire come from? The origin of
this resistance is in the mismatch between the large number of modes in the
contacts and a few channels in the wire. So this is NOT the resistance of a
perfect wire, but rather the resistance of the interface between contacts and
wire.
1.3.3 Back to the single-channel Landauer formula
Consider now the single-channel case with imperfect transmission T (Ez , V ) =
T = 1, repeating the same calculation as in (1.62) we obtain
J=
e
e2
T (
L
R ) = T V,
h
h
(1.64)
e2
T.
(1.65)
h
This is conductance between reservoirs, e.g. between some two points L
and R inside the contacts (see Fig. 1.8). Now consider two other points
A and B inside quantum wire. Distribution functions and corresponding
G=
30
1 Landauer-B
uttiker method
mL+eV
mR
Fig. 1.7. Left and right particles in a perfect wire (energy diagram).
Leads
Left
reservoir
(contact)
Right
reservoir
(contact)
A Scattering B
region
L of the right
moving electrons is equal to
L only in the left part of the wire, as well as
R in the right part. In the other parts electro-chemical potentials are
R =
modied by the reection from the barrier. For example, only the part of
right moving electrons is transmitted through the barrier and corresponding
R are reected and move
potential should be T
L , but additionally (1 T )
back. Finally, we obtain
1.3 Landauer-B
uttiker formulas
L ,
L =
R ,
R =
L + (1 T )
R ,
R = T
L = T
R + (1 T )
L .
31
(1.66)
(1.67)
The dierence of both left moving and right moving chemical potentials across the barrier is the same
L
R ).
L
R =
L
R = (1 T )(
(1.68)
mL+eV
m"
L
m!
L
m"
R
mR
m!
R
Fig. 1.9. Left and right particles in an imperfect wire (energy diagram).
32
1 Landauer-B
uttiker method
At zero temperature
Calculation of the current is now straightforward, following (1.62) we obtain
for the current from the left mode into the right mode
J =
2e
T (
L
R ) ,
h
(1.71)
NL
NR
e
T (
L
R ) .
h =1
(1.73)
=1
T =
=1 =1
NL
NR
|t |2 =
=1 =1
NL
NR
t t =
=1 =1
NR
tt
= Tr tt
=1
(1.74)
we obtain Landauer multichannel current and conductance
J=
e2
e
Tr tt (
L
R ) = Tr tt V,
h
h
(1.75)
e2
Tr tt .
h
(1.76)
G=
General expression
exp
1
EeV
T
+1
fR (E, ) =
exp
1
E
T
+1
(1.78)
33
These functions are the same for all modes and we obtain the following general
two-terminal Landauer formula
2e
T (E, V ) [fL (E + eV ) fR (E)] dE,
(1.79)
J(V ) =
h
with
T (E, V ) =
T (E, V ) = Tr tt (E, V ).
(1.80)
j=i
e
e
(1.82)
T ij = Tr tij tij ,
h
h
where Ji is the current from the i-th contact to the System.
From the time-reversal invariance in the presence of a magnetic eld H
T ij (H) =
T ji (H).
(1.83)
2
Gij =
j=i
j=i
(1.84)
j=i
34
1 Landauer-B
uttiker method
e2
Re
0
G = lim
0
dtei(+i)t
J(0)
J(t),
(1.85)
eq
where the matrix elements of the current operator I in the Hilbert space of
single particle eigenfunctions n (r) = n (r )n (z) are
n
i
m
dr n
m
Jnm (z) =
,
(1.86)
2m
z
z
which should be independent of z in the stationary case because of current
conservation, and can be evaluated at any cross-section.
At zero temperature this formula can be written as [4]
e2 h
|Wnm |2 ( Em + En ),
0 4m2
nm
G = lim
(1.87)
where Wnm is
m
m n ,
(1.88)
z
z
the sum is taken with the condition En < EF < Em .
The simplest way to proceed is to use the so-called scattering states. Using
incoming and outgoing modes in the right and left leads (1.47)-(1.50), we can
dene the scattering states as
kn
ikn (E)z
+
rmn Lm (x, y)eikn (E)z , z L,
Ln (x, y)e
k
m
m
Ln (E, x, y, z) =
kn
k
m
m
(1.89)
The physical sense of this state is quite transparent. It describes a particle
moving from the left and splitting into reected and transmitted parts. We
established that it is important for Landauer transport, that only these states
are populated from the left reservoir, so that one can accept the distribution
of left scattering states to be equilibrium with the left electro-chemical potential. The other right states, populated by the right reservoir, are dened
as
Wnm = n
kn
ikn (E)z
+
rmn Rm (x, y)eikn (E)z , z R,
Rn (x, y)e
k
m
m
Rn (E, x, y, z) =
kn
k
m
m
(1.90)
Now, using the scattering states (1.89) and (1.90), it is straightforward to
obtain the Landauer and Fisher-Lee formulars. We leave that as an exercise!
1.5 Problems
35
1.5 Problems
1.5.1 Transmission though a symmetric rectangular barrier
Consider the rectangular barrier
0, z < a,
U (z) = U0 , a < z < a,
0, z > a.
Wave function is given by
(1.91)
(1.92)
where
2mEz
,
h
2m(U0 Ez )
=
.
h
k=
(1.93)
(1.94)
4k2 2
.
(k2 + 2 )2 sinh2 (a) + 4k2 2
(1.95)
Additional reading
A. D. Stone and A. Szafer, What is measured when you measure a resistance? - The Landauer formula revisited, IBM J. Res. Develop. 32, 384
(1988).
H. Bruus and K. Flensberg, Many-body quantum theory in condensed
matter physics, chapters 6,7.
D.K. Ferry and S.M. Goodnick, Transport in nanostructures, chapter 3.
S. Datta, Quantum transport: atom to transistor, chapter 9.
S. Datta, Electronic transport in mesoscopic systems, chapters 2,3.
Y. Imry, Introduction to mesoscopic physics, chapter 5.
36
1 Landauer-B
uttiker method
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scatterers in metallic conduction, IBM J. Res. Develop. 1, 223 (1957).
2. R. Landauer, Electrical resistance of disordered one-dimentional lattices, Phil. Mag. 21, 863 (1970).
3. E. N. Economou and C. M. Soukoulis, Static Conductance and Scaling Theory of Localization in One Dimension, Phys. Rev. Lett. 46, 618
(1981).
4. D. S. Fisher and P. A. Lee, Relation between conductivity and transmission matrix, Phys. Rev. B 23, 6851 (1981).
5. M. B
uttiker, Y. Imry, R. Landauer, and S. Pinhas, Generalized manychannel conductance formula with application to small rings, Phys. Rev.
B 31, 6207 (1985).
6. M. B
uttiker, Four-Terminal Phase-Coherent Conductance, Phys. Rev.
Lett. 57, 1761 (1986).
7. R. Landauer, Spatial variation of currents and elds due to lodcalized
scatterers in metallic conduction, IBM J. Res. Develop. 32, 306 (1988).
8. M. B
uttiker, Symmetry of electrical condution, IBM J. Res. Develop.
32, 317 (1988).
9. A. D. Stone and A. Szafer, What is measured when you measure a resistance? - The Landauer formula revisited, IBM J. Res. Develop. 32, 384
(1988).
10. H. U. Baranger and A. D. Stone, Electrical linear-response theory in an
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