Theory of current-induced dynamics in molecular-scale devices.
作者： Ryan Jorn , Tamar Seideman
DOI: 10.1063/1.2172607
关键词: Scattering 、 Heterojunction 、 Formalism (philosophy of mathematics) 、 Quantum mechanics 、 Statistical physics 、 Subspace topology 、 Chemistry
摘要: We develop a theoretical framework for the study of inelastic resonant transport and current-driven dynamics in molecular nanodevices. Our approach combines Born-Oppenheimer solution coordinate-, energy-, voltage-dependent self-energy with time-dependent scattering vibrational dynamics. The formalism is applied to two classic problems current-triggered As simple example bound-bound events nuclear subspace we problem current-induced oscillations Au–C60–Au heterojunctions. well-studied bound-free revisit scanning-tunneling-microscopy-triggered H-atom desorption from Si(100) surface. numerical results are supported by analytically soluble model.
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