计算物理 ›› 1989, Vol. 6 ›› Issue (1): 67-70.

• 论文 • 上一篇    下一篇

用单纯形法研究si(100)2×1表面的再构

资剑, 张开明   

  1. 复旦大学物理系, 上海
  • 收稿日期:1987-12-14 出版日期:1989-03-25 发布日期:1989-03-25

Si(100)2×1 SURFACE RECONSTRUCTION BY SIMPLEX METHOD

Zi Jian, Zhang kaiming   

  1. Fudan University, Department of Physics, Shanghai
  • Received:1987-12-14 Online:1989-03-25 Published:1989-03-25

摘要: 本文用单纯形方法,研究Si(100)2×1表面及以下几层原子的驰豫。对金刚石、Ge的(100)2×1结构也做了计算。

Abstract: The positions of atoms untill fifth layers of the reconstructed Si(100)2×1 surface are studied by simplex method. In addition, the reconstractions of diamond and Ge(100)2×1 are also investigated.