DYNAMICS OF AN ATOMIC SWITCH COMPUTED BY FIRST-PRINCIPLES MOLECULAR-DYNAMICS

被引：9
|
作者：
VONALLMEN, P
HESS, K
机构：
[1] Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana
来源：
PHYSICAL REVIEW B | 1995年 / 52卷 / 07期
关键词：
D O I：
10.1103/PhysRevB.52.5243
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We report theoretical investigation of the dynamics of a structure containing two perpendicular chains of silicon atoms. This structure is shown to operate as a bistable switch with the switching element being one single atom. The dynamical properties of the structure are computed with a first-principles molecular-dynamics method in the framework of the density-functional theory and the Car-Parrinello method. The switching speed of the structure is found to be in the range of the silicon bulk phonon frequency for displacements of the switching atom as large as 1 nm.
引用
收藏
页码：5243 / 5246
页数：4
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