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Zero bias Conductance
1. Side-coupled device

1.1. The Model


                                                   t
                 H   =         εLk c† cLk +
                                    Lk            √ 0 d†           cLk + H.c.
                           k
                                                   2N          k

                                                   t
                     +         εRk c† cRk +
                                    Rk            √ 0 d†           cRk + H.c.
                           k
                                                   2N          k

                     + V c† f0 + H.c + Kf0 f0
                          d
                                         †


                     + εd c† cd + U nd↑ nd↓ .
                           d
                                                                                      (1.1)

We consider εF ≡ 0, εLk = εk − ∆µ and εRk = εk + ∆µ. The chemical potential dif-
ference between the reservoirs is 2∆µ and ∆µ = e∆φ/2 for an applied bias ∆φ. The
zero bias conductance occurs for the regime ∆φ → 0. Using the canonical even-odd
transformation

                                              1
                                cLk     =    √ (cek + cok )                           (1.2)
                                               2
                                              1
                                cRk     =    √ (cek − cok )                           (1.3)
                                               2
we derive a free Hamiltonian

                                      Ho =        εk c† cok
                                                      ok                              (1.4)
                                              k

and an interacting one in terms of a renormalized hybridization


                                         √     t0 †
            He   =        εk c† cek +
                              ek             2√    d           cek + V c† f0 + H.c.
                                                                        d
                      k
                                                2N        kσ

                 +     †
                     Kf0 f0 + εd c† cd + U nd↑ nd↓ .
                                  d                                                   (1.5)

Note that

                                        H = Ho + He ,                                 (1.6)
which satisfies the property

                                        [Ho , He ] = 0.                               (1.7)
2. Linear response theory

   We consider the Hamiltonian splitted as

                                     H =H+H                                        (2.1)
and the time evolution of an eigenstate |Φn in the interaction picture
                                             t
                                         i
                       |Φn =       1−             H (τ ) dτ    |Ψn ,               (2.2)
                                             −∞

where |Ψn is an eigenstate of the Hamiltonian H. The Hamiltonian H is treated as a
perturbation. So the current J through the system is determined by the thermal average
of the current operator IL (t) over the states |Ψn . Therefore, we have
                                     t
                               i
                        J =−                 IL (t) , H (τ )    dτ.                (2.3)
                                   −∞

   The time evolution for the operators is


                                             H                  H
                      IL (t) = exp i             t IL exp −i        t              (2.4)

                                             H                  H
                      H (t) = exp i              t H exp −i         t .            (2.5)

   The perturbative Hamiltonian is


     H = −∆µ           c† cLk − c† cRk = −∆µ
                        Lk       Rk                            c† cok + c† cek .
                                                                ek       ok        (2.6)
                  k                                      k
3. The Conductance

   We want to derive the conductance expressed in the form

                           J    2e2                            ∂fF (ε)
                      G=      =              dεT (ε, β) −                                    (3.1)
                           ∆φ    h                               ∂ε
where T (ε, β) is the transmission coefficient. Let us first calculate the current

                                        ie
                              IL = −               c† cLk , H
                                                    Lk                                       (3.2)
                                               k

                                  ie t0
                         IL = −     √                c† d − d† cLk
                                                      Lk                                     (3.3)
                                      2N       k

                    ie t0
            IL = − √ √                   c† d − d† cek + c† d − d† cok
                                          ek              ok                         .       (3.4)
                     2 2N         k

The substitution of Eqs.(2.4), (2.5), (2.6) and (3.4) in Eq.(2.3) leads to

                              √ e                  +∞
                         J = − 2 ∆µ                     dτ F (t − τ )                        (3.5)
                                                   −∞

with the correlator


                   i                     t
     F (t − τ ) = − θ (t − τ )          √0         c† (t) d (t) , c† (τ ) coq (τ )
                                                    ok             eq                    .   (3.6)
                                  kq
                                         2N

   The integral of Eq.(3.5) results in

      +∞                                                                  +∞
                                    i
           dτ F (t − τ ) =      −        Z−1            exp (−βEn )            θ (t − τ ) dτ
    −∞                                         kq mn                     −∞

                                   i                                       t0 †
                          ×   exp − (En − Em ) (τ − t)               Ψn | √    cok d |Ψm
                                                                            2N
                          ×    Ψm | c† coq |Ψn
                                     eq
                                                                          +∞
                                    i
                          −     −        Z−1            exp (−βEn )            θ (t − τ ) dτ
                                               kq mn                     −∞

                                   i
                          ×   exp − (Em − En ) (τ − t)               Ψn | c† coq |Ψm
                                                                           eq

                                     t0 †
                          ×    Ψm | √    cok d |Ψn .                                         (3.7)
                                      2N
    Now we exchange n ↔ m in the second term of (3.7) and introduce an infinitesimal
parameter η in the exponentials,
     +∞
                                                           (exp (−βEn ) − exp (−βEm ))
           dτ F (t − τ ) =    limη→0+ Z−1
    −∞                                                            En − Em + iη
                                                   kq mn
                                     t0 †
                         ×     Ψn | √    cok d |Ψm Ψm | c† coq |Ψn .
                                                         eq                                  (3.8)
                                      2N
We see that the term Ψm | c† coq |Ψn mixtures the conduction bands.
                                eq
     We eliminate such mixture calculating


                   Ψm | c† coq , H |Ψn
                         eq                         =    Ψm | c† coq H − Hc† coq |Ψn
                                                               eq          e

                                                    = (En − Em ) Ψm | c† coq |Ψn ,
                                                                       eq                              (3.9)


                                                       1      √ t0
               Ψm | c† coq |Ψn
                     eq                  =     −               2√    Ψm | d† coq |Ψn .
                                                   (En − Em )     2N

                                                                                                      (3.10)

     The combination of Eq.(3.10) with the limit

                                 exp (−βEn ) − exp (−βEm )
                limEm →En                                  = −β exp (−βEn )                           (3.11)
                                         En − Em
     in Eq.(3.8) leads to

                 e                                                                      t
 J     =       −2 π∆µβZ−1                exp (−βEn ) δ (En − Em ) Ψn |                 √ 0 c† d |Ψm
                                                                                            ok
                                   mn                                             k
                                                                                        2N
                            t
       ×       Ψm |        √ 0 d† coq |Ψn .                                                           (3.12)
                      q     2N

     The property of Eq.(1.7) allows to write

                                                |Ψm = |r |s                                           (3.13)


       Z−1 exp (−βEn ) δ (En − Em ) = Z−1 Z−1 exp (−βEr ) exp (−βEs )
                                        e   o
                                                      e           o

                                          e    o    e      o
                                    × δ (Er + Es − Er − Es )


                           e           o           e    e           o    o
           =       exp (−βEr ) exp (−βEs ) δ (ε + Er − Er ) δ (ε + Es − Es ) dε


               1               o             o             e             e
           =          [exp (−βEs ) + exp (−βEs )] [exp (−βEr ) + exp (−βEr )]
               β

                               ∂fF (ε)               e    e           o    o
                    × −                      δ (ε + Er − Er ) δ (ε + Es − Es ) dε,                    (3.14)
                                 ∂ε
where |r and |s are even and odd eigenstates, respectively. Applying them on Eq.(3.12),
we finally derive the conductance

                                2e2                          d|d†   ε        ∂fF (ε)
                      G=            πΓ        dε −                       −                            (3.15)
                                 h                            π                ∂ε
                           2
                                                                                                     Nq
where Γ = π          t
                    √0
                       N
                                           1
                               ρ and ρ = − π            kq     c† |coq
                                                                ok              . Using    t
                                                                                          √0
                                                                                             N
                                                                                                 =   πρ ,   we
                                                                         ε=εF
recover Eq.(5) of the manuscript.

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Swan(sea) Song – personal research during my six years at Swansea ... and bey...
 

Conductance

  • 2. 1. Side-coupled device 1.1. The Model t H = εLk c† cLk + Lk √ 0 d† cLk + H.c. k 2N k t + εRk c† cRk + Rk √ 0 d† cRk + H.c. k 2N k + V c† f0 + H.c + Kf0 f0 d † + εd c† cd + U nd↑ nd↓ . d (1.1) We consider εF ≡ 0, εLk = εk − ∆µ and εRk = εk + ∆µ. The chemical potential dif- ference between the reservoirs is 2∆µ and ∆µ = e∆φ/2 for an applied bias ∆φ. The zero bias conductance occurs for the regime ∆φ → 0. Using the canonical even-odd transformation 1 cLk = √ (cek + cok ) (1.2) 2 1 cRk = √ (cek − cok ) (1.3) 2 we derive a free Hamiltonian Ho = εk c† cok ok (1.4) k and an interacting one in terms of a renormalized hybridization √ t0 † He = εk c† cek + ek 2√ d cek + V c† f0 + H.c. d k 2N kσ + † Kf0 f0 + εd c† cd + U nd↑ nd↓ . d (1.5) Note that H = Ho + He , (1.6) which satisfies the property [Ho , He ] = 0. (1.7)
  • 3. 2. Linear response theory We consider the Hamiltonian splitted as H =H+H (2.1) and the time evolution of an eigenstate |Φn in the interaction picture t i |Φn = 1− H (τ ) dτ |Ψn , (2.2) −∞ where |Ψn is an eigenstate of the Hamiltonian H. The Hamiltonian H is treated as a perturbation. So the current J through the system is determined by the thermal average of the current operator IL (t) over the states |Ψn . Therefore, we have t i J =− IL (t) , H (τ ) dτ. (2.3) −∞ The time evolution for the operators is H H IL (t) = exp i t IL exp −i t (2.4) H H H (t) = exp i t H exp −i t . (2.5) The perturbative Hamiltonian is H = −∆µ c† cLk − c† cRk = −∆µ Lk Rk c† cok + c† cek . ek ok (2.6) k k
  • 4. 3. The Conductance We want to derive the conductance expressed in the form J 2e2 ∂fF (ε) G= = dεT (ε, β) − (3.1) ∆φ h ∂ε where T (ε, β) is the transmission coefficient. Let us first calculate the current ie IL = − c† cLk , H Lk (3.2) k ie t0 IL = − √ c† d − d† cLk Lk (3.3) 2N k ie t0 IL = − √ √ c† d − d† cek + c† d − d† cok ek ok . (3.4) 2 2N k The substitution of Eqs.(2.4), (2.5), (2.6) and (3.4) in Eq.(2.3) leads to √ e +∞ J = − 2 ∆µ dτ F (t − τ ) (3.5) −∞ with the correlator i t F (t − τ ) = − θ (t − τ ) √0 c† (t) d (t) , c† (τ ) coq (τ ) ok eq . (3.6) kq 2N The integral of Eq.(3.5) results in +∞ +∞ i dτ F (t − τ ) = − Z−1 exp (−βEn ) θ (t − τ ) dτ −∞ kq mn −∞ i t0 † × exp − (En − Em ) (τ − t) Ψn | √ cok d |Ψm 2N × Ψm | c† coq |Ψn eq +∞ i − − Z−1 exp (−βEn ) θ (t − τ ) dτ kq mn −∞ i × exp − (Em − En ) (τ − t) Ψn | c† coq |Ψm eq t0 † × Ψm | √ cok d |Ψn . (3.7) 2N Now we exchange n ↔ m in the second term of (3.7) and introduce an infinitesimal parameter η in the exponentials, +∞ (exp (−βEn ) − exp (−βEm )) dτ F (t − τ ) = limη→0+ Z−1 −∞ En − Em + iη kq mn t0 † × Ψn | √ cok d |Ψm Ψm | c† coq |Ψn . eq (3.8) 2N
  • 5. We see that the term Ψm | c† coq |Ψn mixtures the conduction bands. eq We eliminate such mixture calculating Ψm | c† coq , H |Ψn eq = Ψm | c† coq H − Hc† coq |Ψn eq e = (En − Em ) Ψm | c† coq |Ψn , eq (3.9) 1 √ t0 Ψm | c† coq |Ψn eq = − 2√ Ψm | d† coq |Ψn . (En − Em ) 2N (3.10) The combination of Eq.(3.10) with the limit exp (−βEn ) − exp (−βEm ) limEm →En = −β exp (−βEn ) (3.11) En − Em in Eq.(3.8) leads to e t J = −2 π∆µβZ−1 exp (−βEn ) δ (En − Em ) Ψn | √ 0 c† d |Ψm ok mn k 2N t × Ψm | √ 0 d† coq |Ψn . (3.12) q 2N The property of Eq.(1.7) allows to write |Ψm = |r |s (3.13) Z−1 exp (−βEn ) δ (En − Em ) = Z−1 Z−1 exp (−βEr ) exp (−βEs ) e o e o e o e o × δ (Er + Es − Er − Es ) e o e e o o = exp (−βEr ) exp (−βEs ) δ (ε + Er − Er ) δ (ε + Es − Es ) dε 1 o o e e = [exp (−βEs ) + exp (−βEs )] [exp (−βEr ) + exp (−βEr )] β ∂fF (ε) e e o o × − δ (ε + Er − Er ) δ (ε + Es − Es ) dε, (3.14) ∂ε where |r and |s are even and odd eigenstates, respectively. Applying them on Eq.(3.12), we finally derive the conductance 2e2 d|d† ε ∂fF (ε) G= πΓ dε − − (3.15) h π ∂ε 2 Nq where Γ = π t √0 N 1 ρ and ρ = − π kq c† |coq ok . Using t √0 N = πρ , we ε=εF recover Eq.(5) of the manuscript.