Redeld Equation For Non-Equilibrium Environement

Gregory Bulnes Cuetara, Massimiliano Esposito, and Pierre Gaspard

Center for Nonlinear Phenomena and Complex Systems, Universit Libre de Bruxelles, Code Postal 231, Campus Plaine, B-1050 Brussels, Belgium e

I. II. A.

INTRODUCTION

GENERAL FORMALISM

Back to the Schrodinger picture and supposing that the initial density matrix factorises as (0) = S (0)B (0), we can extract a propagator for the system density matrix by tracing this last equation S (t) = Ut S (0), with
t

Eective dynamics of the quantum system

(9)

We consider a model made of a quantum system, with Hamiltonian HS , weakly coupled to a macroscopic environement. The later is composed of several baths HB , which may be at equilibrium or not. At this point we assume the environment Hamiltonian HB to be quadratic, and do not exclude the possibility of tunneling between the various baths in which case non equilibrium constraints would lead to uxes of heat and/or current in the environment. The Hamiltonian of the whole system reads H = HS + HB + V H0 + V, with V =
i where S are operators acting on the quantum system i while V are operators of the baths. This last term describes the interaction between the quantum system and the several baths. The total system is completely described by a density matrix which evolves in time according to the VonNeuman equation

Ut = eLS t +
0 t

dt1 eLS t PLI (t1 )

t1

+
0

dt1
0

dt2 eLS t PLI (t1 )LI (t2 ) + o(3 ) , (10)

(1) (2) (3)

S B ,

with LS S [HS , S ] and where P acts on the right by averaging bath operators with the initial density matrix of the bath. If A is a superoperator acting to the right on system and bath operators, we then have the denition [PA](S ) TrB {A(S B )}, (11)

resulting on a superoperator acting on the system operators only. Relation (9) enables us to write a dynamical equation for the reduced density matrix as 1 S (t) = Ut Ut S (t), (12)

(t) = [H, (t)] L(t).

(4) (5)

Our aim is to derive dynamical equation up to second order in for the evolution of the reduced density matrix of the quantum system S (t) = trB (t) where the trace is over the environment. First, we rewrite equations (4) and (5) in the interaction picture I (t) = [VI (t), I (t)] LI (t)I (t), (6) (7)

which by use of equation (10) and keeping terms up to second order in gives us

S (t) = LS + Pt LI
t

where operators in this picture are given by AI = eH0 t AeH0 t eL0 t A, and same for the density matrix. This equation can be formally solved up to second order in by
t

+
0

d Pt LI Pt LI ( ) Pt LI LI ( ) S (t). (13)

I (t) = I (0) +
0 t

dt1 LI (t1 )I (0)

t1

By inserting denitions (3) and (7) into this relation nally we get a dynamical equation for the density matrix of a quantum system weakly coupled to a macroscopic environment, which may be at equilibrium or not

+
0

dt1
0

dt2 LI (t1 )LI (t2 )I (0) + o(3 ). (8)

S (t) = [HS , S (t)]

t

B (t) [S , S (t)]

+2
0

d
,

(t, t ) S S ( )S (t)S ( )S (t)S + (t, t) S (t)S ( )S S S (t)S ( ) , (14)

where we dened the average of an operator on the initial density matrix of the environment B = Tr{B B (0)}, (15)

arguments as can be shown by using denitions (15) and (16), i.e. (t1 , t2 ) (t1 t2 ), (19)

and the correlation functions in the environement by (t1 , t2 ) = B (t1 )B (t2 ) B (t1 ) B (t2 ) . (16) This correlation functions contain all the information about the environment and, in particular, its equilibrium or non equilibrium caracter. We stress at this point that the only assumptions in getting to (21) are the weakness of the coupling in order to justify perturbative calculation and the factorisation of the density matrix at initial time.
B. Equilibrium and Non Equilibrium correlation functions

In the following we consider separately the two cases mentionned above in order to simplify the discussion. The results below are however valid for a combination of the two situations. The rst and known one is the case of an equilibrium environment made of several non interacting baths and exchanging particles and/or matter only through the system. The Hamiltonian of the environement is then given by the sum of the free Hamiltonians of each bath. Its initial density matrix is then choosen as the product of the equilibrium density matrices of each bath
N

for an environement at thermodynamic equilibrium. This property of the equilibrium correlation functions implies the disappearance of the time argument t in the integrand of equation (21) leading to the usual Redeld equation for a system weakly coupled to grand canonical baths. This equation is still non Markovian due to the t dependance in the upper bound of the integral. However, if correlation functions (19) decay on time scales much shorter than the typical time scale of the system dynamics, one can approximate the integral by sending the upper bound to innity leading to a Markovian equation. Let us now consider as second case a non equilibrium environment made of several baths, initialy at equilibrium, which can however exchange matter and/or energy and and subject to non equilibrium constraints. The generic Hamiltonian of such environment is given by
N n HB = i=1 i HB + i,j=1 N

V iV j ,

(20)

B (0) =
i=N

i (HB i N i )

Zi

(17)

where the product goes over all the equilibrium baths i with Hamiltonian HB and particle number operator N i . i i The numbers , and Z i are respectively the inverse temperature, the chemical potential and the partition function of each of these baths. Such initial condition is left invariant by the free evolution of the baths governed by the Hamiltonian
N

HB =
i=1

i HB .

(18)

As a consequence, correlation functions for an equilibrium environment only depend on the time of their

where V i is an operator in bath i and the sum runs over the baths composing the non equilibrium environment. The initial density matrix is again choosen to be (17) but is not anymore left invariant by Hamiltonian (20) so that (19) is not valid in general for a non equilibrium environment. However, it is known that at steady state, non equilibrium correlation functions depend only on the dierence of their time argument, enabling the following hypothesis. If the time scales for the non equilibrium environment to reach steady state are much shorter than the typical time scales of the quantum system dynamics we consider, we can approximate equation (21) by calculating non equilibrium correlation functions at steady state. These correlation functions then obey (19) and do not depend on t in (21). If, as for the case of an equilibrium environment, they decay fast enough in time, we can make a Markovian hypothesis as described above by sending the upper bound of the integral to innity. This leads as to the following Markovian equation for the system density matrix

S (t) = [HS , S (t)]

B [S , S (t)]

+ 2
0

d
,

( ) S S ( )S (t) S ( )S (t)S + ( ) S (t)S ( )S S S (t)S ( ) . (21)

III. A.

EXAMPLES

Single Quantum Dot probed by Quantum Point Contact

where c (c ) are creation (anihilation) operators in reseri i voir i while Td is the tunneling strengh between them. The coupling between the quantum system and the non equilibrium environment, i.e the QPC, is accomplished through the Hamltonian
d Vd = Tlr |l r|c c2 + h.c. 1

In the following we illustrate the above results on a model made of a Quantum Dot exchanging electrons with two electronic reservoirs, each at equilibrium, and coupled to a out of equilibrium Quantum Point Contact. The QD can be in three dierent quantum states which can be either empty |0 , or lled |l and |r . The Hamiltonian is accordingly given by HS =
s

(29)

The interaction Hamiltonian in equation (3), which is treated perturbatively in order to get (21), is now for our model the sum of the terms (27) and (29) V = Vtun + Vd . (30)

Es |s s|,

(22)

where the sum runs over the three indices s = 0, l, r. The electronic baths are described, in the wide band approximation, by HB =
L cL cL + R cR cR ,

We note that for the choice (27) we have the relation Tr{Vtun (t)B (0)} = 0, (31)

(23) (24) so that the operator generating the dynamics in equation (21) will be the sum of an equilibrium component due to Vtun , and a non equilibrium one due to the detector Vd . Moreover, we see that the linear term in Vtun will be zero. Calculation of the eective dynamical equation for the system density matrix is given in Appendix (..). By dening ss (t) s|S (t)|s , with s, s = 0, l, r one gets s1 s1 (t) =
s2 s2 tun d + Ds1 s1 |s2 s2 + Ds1 s1 |s2 s2 s2 s2 (t) + h.c., (32)

L R HB + HB ,

in analogy with (18), and where c (c ) is the creation (anihilation) operator in reservoir . They are supposed to be initially at equilibrium, so that the initial density matrix of these baths is choosen as (17) B (0) = e(HB N ZL L B (0)R (0). B
L L L

e(HB ZR

N R)

(25) (26) Es2 s1 s2 s1 s2 Es2 s1 s2 s1 s2

The tunneling of electrons between the QD and the electron baths is described by the tunneling Hamiltonian Vtun =
=L,R where the Tl and Tr are the tunneling couplings. The charge state of the QD is probed by a QPC detector whose Hamiltonian is given by (20) n HB = i=1,2 i ci ci Tl |l 0| + Tr |r 0| c + h.c.,

(27)

where the indices run over the basis |s s | {|0 0|, |l l|, |r r|, |0 l|, |l 0l|, |0 r|, |r 0|, |l r|, |r l|}. The rst term on the right hand-side corresponds to the free evolution of the quantum system. Thehe second one is the dissipator due to the tunneling between the quantum system and the two equilibrium electron reservoirs whose matrix elements are given by

+ T d c c2 + h.c., 1

(28)

tun Ds1 s1 |s2 s2 = Re ll Re rr Re ll Re rr 0 0 0 0 lr +rl +lr rl

Re ll Re ll 0 0

Re rr 0 Re rr 0

0 0 0 ll rr ll 0
rl

0 0 0 0
ll rr ll

0 0 0
lr

0 0 0 0

lr +rl lr

rl 0

0 ll rr rr 0

lr

0
ll rr rr

0
rl

rl

0 ll (0l ) rr (0r ) 0

lr
lr

rl

rl +lr lr rl 0 0 , 0 0 0
rr ll

(33)

where we dened

with the initial density matrix in reservoir , (0) deB ned in (25) and (26). d e(E0 Es
)

ss =
0

ss ( )

(34) (35)

ss =
0

d e(Es E0 ) ss ( ),

having dened the correlation functions of the reservoirs as ss ( ) =

=L,R Ts Ts Tr{c ( )c (0)} B Ts Ts Tr{c ( )c (0)}, B =L,R

(36) (37)

ss ( ) =

The last term in (32) describes the backaction of the QPC on the evolution of the quantum system. It has contributions coming from both the rst and second order terms in equation (21). Its matrix elements are given by

d Ds1 s1 |s2 s2 =

0 0 0 0 0 0

0 0 0 0 0 0

0 0 0 0 0 0 d 0 Tld G< + T d G< T0 12 21 0 0 0 0

0 0 0 0 0 0

0 0 0 0 0 0

0 0 0 0 T d G< T d G< 21 12 0 T d G< T d G< 21 12 0 0 0 0 0 0 0 0 0

(38)

t d Dll|ll = 0 d d |Tlr |2 {G< ( )G> ( )erl } , 11 22 d Dll|rr = 0

t d d |Tlr |2 {G< ( )G> ( )elr } , (40) 22 11

(39)

5 where we dened ss = Es Es and the two-point Green functions G< (t1 t2 ) = Tr{c (t2 )ci (t1 )B }, ij j G> (t1 t2 ) = ij Tr{ci (t1 )c (t2 )B }, j (41) (42) G> () = 11 2 1 + 2 2 |T d |2 f1 () + 2 2 |T d |2 f2 () , (44) + 2 (1 + 2 2 |T d |2 )2

i, j = 1, 2, and B being the initial condition (17). At steady-state in the detector these functions only depend on the time dierence of their arguments as explicited directly in their denition. Their Fourier transforms are given by G< () 11 f1 () + 2 2 |T d |2 f2 () = 2 , (1 + 2 2 |T d |2 )2 (43)

and similiarly for G< () and G> (). fi () is the Fermi22 22 Dirac statistic in reservoir i while is the density of states which assumed to be constant and identical in each reservoir.

Acknowledgments