量子体系中分子结的非平衡输运
Non-equilibrium transport through molecular junctions in the quantum regime
摘要：
我们考虑一个量子点，受局域振动模式的影响，并与宏观引线接触，在非平衡稳态制度。我们应用变分Lang-Firsov变换和解决的运动方程的格林函数的Kadanoff-Baym形式主义的相互作用系数的二阶。通过最小化的热力学势的变换参数的变分确定，使我们能够计算电子/极化子的光谱函数和电导的绝热反绝热声子频率和弱到强的电子-声子耦合。我们研究了准粒子重整化对非弹性电子隧穿谱特征的定性影响，并讨论了极化子诱导负微分电导的可能性。在高压区，我们发现极化子能级跟随铅化学势以增强共振输运。
英文摘要：
We consider a quantum dot, affected by a local vibrational mode and contacted to macroscopic leads, in the non-equilibrium steady-state regime. We apply a variational Lang-Firsov transformation and solve the equations of motion of the Green functions in the Kadanoff-Baym formalism up to second order in the interaction coefficients. The variational determination of the transformation parameter through minimization of the thermodynamic potential allows us to calculate the electron/polaron spectral function and conductance for adiabatic to anti-adiabatic phonon frequencies and weak to strong electron-phonon couplings. We investigate the qualitative impact of the quasi-particle renormalization on the inelastic electron tunneling spectroscopy signatures and discuss the possibility of a polaron induced negative differential conductance. In the high-voltage regime we find that the polaron level follows the lead chemical potential to enhance resonant transport.
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