Tchavdar Todorov, Electron-phonon interaction in atomic wires

As part of a long-term project to model current-induced mechanical effects in atomic-scale conductors, we have been working lately on setting up tractable models of electron-phonon coupling in such systems. First, a simple tight-binding model of electron-phonon interactions was developed, in which atomivc vibrations are treated as Einstein independent oscillators. This scheme was used for model calculations of local power dissipation in nanowires. Then a more sophisticated model was set up to allow electrons to be coupled to realistic, extended phonon modes. This model is being used at present to simulate the inelastic current-voltage spectroscopy of atomic wires. Our goal in future is to combine calculations of power dissipation with appropriate models of heat conduction to simulate the steady-state temperature profile in a current-carrying nanojunction.