Correlated electron-phonon transport from molecular dynamics with quantum baths
| dc.creator | Lu, J. T. | |
| dc.creator | Wang, Jian-Sheng | |
| dc.date | 2008-03-04 | |
| dc.date | 2008-06-06 | |
| dc.date.accessioned | 2026-07-07T12:23:26Z | |
| dc.date.available | 2026-07-07T12:23:26Z | |
| dc.description | Based on generalized quantum Langevin equations for the tight-binding wave function amplitudes and lattice displacements, electron and phonon quantum transport are obtained exactly using molecular dynamics (MD) in the ballistic regime. The electron-phonon interactions can be handled with a quasi-classical approximation. Both charge and energy transport and their interplay can be studied. We compare the MD results with that of a fully quantum mechanical nonequilibrium Green's function (NEGF) approach for the electron currents. We find a ballistic to diffusive transition of the electron conduction in one dimensional chains as the chain length increases. | |
| dc.description | expanded version, fig.2 was corrected | |
| dc.identifier | https://arxiv.org/abs/0803.0368 | |
| dc.identifier | http://arxiv.org/abs/0803.0368 | |
| dc.identifier | J. Phys.: Condens. Matter, {21}, 025503 (2009) | |
| dc.identifier | doi:10.1088/0953-8984/21/2/025503 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/213988 | |
| dc.subject | Mesoscale and Nanoscale Physics | |
| dc.title | Correlated electron-phonon transport from molecular dynamics with quantum baths | |
| dc.type | text |