Real space finite difference method for conductance calculations
| dc.creator | Khomyakov, Petr A. | |
| dc.creator | Brocks, Geert | |
| dc.date | 2004-05-07 | |
| dc.date | 2004-11-10 | |
| dc.date.accessioned | 2026-07-07T02:58:03Z | |
| dc.date.available | 2026-07-07T02:58:03Z | |
| dc.description | We present a general method for calculating coherent electronic transport in quantum wires and tunnel junctions. It is based upon a real space high order finite difference representation of the single particle Hamiltonian and wave functions. Landauer's formula is used to express the conductance as a scattering problem. Dividing space into a scattering region and left and right ideal electrode regions, this problem is solved by wave function matching (WFM) in the boundary zones connecting these regions. The method is tested on a model tunnel junction and applied to sodium atomic wires. In particular, we show that using a high order finite difference approximation of the kinetic energy operator leads to a high accuracy at moderate computational costs. | |
| dc.description | 13 pages, 10 figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0405151 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0405151 | |
| dc.identifier | Phys. Rev. B 70, 195402 (2004) | |
| dc.identifier | doi:10.1103/PhysRevB.70.195402 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/23916 | |
| dc.subject | Materials Science | |
| dc.title | Real space finite difference method for conductance calculations | |
| dc.type | text |