Classical Nuclear Motion in Quantum Transport
介观与纳米尺度物理
2009-11-11 v2 材料科学
摘要
An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results provide the first example of current-induced molecular desorption as obtained from a full time-dependent approach and suggest the use of ac biases as a way to tailor electromigration. They also show the importance of non-adiabatic effects for ultrafast phenomena in nanodevices.
引用
@article{arxiv.cond-mat/0601171,
title = {Classical Nuclear Motion in Quantum Transport},
author = {Claudio Verdozzi and Gianluca Stefanucci and Carl-Olof Almbladh},
journal= {arXiv preprint arXiv:cond-mat/0601171},
year = {2009}
}
备注
5 pages, 3 figures