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Nonequilibrium Molecular Vibrons: An Approach Based On The Nonequilibrium Green Function Technique And The Self-consistent Born Approximation

D. Ryndyk, M. Hartung, G. Cuniberti
Published 2006 · Physics

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We consider the nonequilibrium quantum vibrations of a molecule clamped between two macroscopic leads in a current-carrying state at finite voltages. Our approach is based on the nonequilibrium Green function technique and the self-consistent Born approximation. Kinetic equations for the average populations of electrons and vibrons are formulated in the weak electron-vibron coupling case and self-consistent solutions are obtained. The effects of vibron emission and vibronic instability are demonstrated using few-orbital models. The importance of the electron-vibron resonance is shown.
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