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Carlo Ruberto
Electrical conductivity:
Response of solid (i.e., induced current) to external electric eld. External electric eld: E (ext)(r; t) = (ext) ei(q r !t); Linear response ) Induced current: J (r; t) =
P
= x; y; or z:
0 (q; !) E (ext)(r; t):
The desired conductivity, , is, however, the response to the total internal P el. eld in the solid, E (r; t) = (external and induced elds). De nition of :
J (r; t) =
(q; !) E (r; t) )
2. A single freq. ! perturbs the system and (q; !) is the response to this !. However, we assume a linear system and that perturbations at di erent P !'s act separately ) total current = over each !.
1. Long-wavelength excitations are studied (small q): Def. (1){(3) correct only for homogeneous material ( is a function of distance from el. eld) ) Incorrect on atomic scale. However, valid if J is to be averaged over many unit cells (e.g., q is small). Often we are interested in the dc conductivity ) q ! 0 and ! ! 0.
Assumptions:
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1 p2; 2m i i
, \transverse" eld).
(4)
A = 0 and ' = 0 (
i.e.
E
1A c
= =
1 @A ) c @t iE = i ! !
(5)
ei(q r !t)
(6)
^ 0 = e 1 X pi H c 2m i
(7)
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r j0(r; t) =
(8) (9)
(10)
) Perturbation Hamiltonian:
(11)
6
(12)
^0 = i H !
e i!t ^(q) j
(13)
e Xhv i; ^ J(r; t) =
i i
(14)
But:
r ^ vi = ddti =
^ ^ ri ; H + H 0
1 hp e A(r )i = m ^i c i
X
e Xhp i e2 ^ i mc ) J(r; t) = m i
Also:
A(ri; t)
^i = e pi ; 1 A(r; t) = i E(r; t) j m^ c !
where
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Thus: where:
J(2)
What is the constant of proportionality between J(2) and E, assuming linear response? ! Kubo formula!
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In Heisenberg representation:
Transverse Fields, T = 0
0 0
(22)
^ U (t) (0)
^ ^ iHt U (t)j 0iI
(23) (24)
Then:
J (2)(r; t) = h jS y(t; 1) ^ (ri; t) S (t; 1)j iI; h j Rt ^ where: S (t; 1) T exp i 1 dt0 H 0(t0) .
^ Linear response ) keep only terms linear in H 0:
Z
(25)
S (t; 1) = 1 i
1
Z
(26)
i
) J (2)(r; t) = h
j^ (r; t)j i i j
dt0h
j i:
(27)
^ i H0 = !
h
^ (q) e i!t ) j
i
i e i!t h^ (r; t); ^ (q; t0)i = j j = ! i E (r; t) e iq r ei!(t t ) h^ (r; t); ^ (q; t0)i ; (28) = ! j j
0 0
which shows that J (2) is proportional to the el. eld. The constant of proportionality thus is:
(29)
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Remains: Average over r to get rid of atomic uctuations (i.e., integrate d3r and divide by ). Only r dependence:
R Z
(30)
; (31)
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The Kubo formula contains a retarded, two-particle Green's function. De ne the retarded correlation function of the current operator:
(32)
yielding:
i (q ; ! ) = !
n0e2 (q; !) + m
(34)
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(35) (36)
d ei!
(q; );
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dc Conductivity
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dc conductivity: real, Re
1 ] = lim!!0 ! Im
(!)].
n;m
1 lim0 ! (1 e ! ) = !!
(38)
Longitudinal Field, Finite Temperatures Longitudinal eld: Allow for a non-zero longitudinal A ) same derivation
^ Finite temperatures: Should H 0 go directly into the thermodynamic weighting ^ ^ ^ factor exp ( H H 0 + N )]?
Answer: No! If the time oscillation of the eld is fast enough, the heat bath will not follow it! Also: such an ansatz would yield that the time dependence of the current operator plays no role, which is non-intuitive.
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Write: J (2) = h^ (r; t)i = Tr ^(t) j ], j i.e., hide all time operators into a time-dependent density operator ^(t).
^ ^ H + N )].
^ Switch then on H 0 adiabatically until the present time. ^(t) obeys a Heisenberg equation of motion: d ^(t) = i hH + H 0(t); ^(t)i ^ ^ dt ^ Let ^(t) = ^0 + f (t) )
(39)
(40)
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(41)
d f^(t) hH; f^i = hH 0; ^ i ^ ^ 0 i dt d eiHt f^(t) e iHt eiHt = hH 0; ^ i ^ ^ ^ ^ 0 e iHt i dt ^ d eiHt f^(t) e iHt = eiHt hH 0; ^ i e iHt = hH 0(t); ^ i ^ ^ ^ ^ ^ i dt ^ 0 0
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Integrate:
f^(t) = f^( 1) i e
^ iHt
^ dt0 H 0(t); ^0
J (2)(r; t) =
=
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i Tr e i Tr
Z
^ iHt
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= = =
i Tr i Tr i
Z
Z Z
t t
=
(43)
which is the same expression as Eq. (27) before. We thus get the same Kubo formula as in the T = 0 case. However, there: h i = expectation value in ground state at T = 0, while here: h i = thermal average.
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