作者: Bijay Kumar Agarwalla , Dvira Segal
DOI: 10.1063/1.4941582
关键词: Coupling (physics) 、 Scattering 、 Quantum master equation 、 Phonon 、 Scaling 、 Quantum mechanics 、 Master equation 、 Physics 、 Harmonic (mathematics) 、 Thermal conduction
摘要: We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green’s function technique and quantum master equation method. Our model describes electronic in a donor-acceptor junction which electron transfer is coupled to nuclear motion, modeled by harmonic vibrational mode. This primary mode further secondary phonon modes, thermal bath. Assuming weak electron-phonon coupling but an arbitrary large molecule-metal hybridization, we compute several transport quantities: mean number of mode, charge current statistics. scaling relations cumulants valid voltage regime. analysis illustrates that method can be worked out consistently, when taking into account corresponding scattering processes.