高等学校化学学报 ›› 1982, Vol. 3 ›› Issue (2): 224-228.

• 论文 • 上一篇    下一篇

二元化合物半导体的能带结构

赵深, 赵源   

  1. 北京大学技术物理系
  • 收稿日期:1980-12-31 出版日期:1982-04-24 发布日期:1982-04-24

ON THE ELECTRONIC BAND STRUCTURE OF BINARY SEMICONDUCTORS

Zhao shen, Zhao Yuan   

  1. Department of Technical Physics, Peking University, Beijing
  • Received:1980-12-31 Online:1982-04-24 Published:1982-04-24

摘要: 本文用LCBOMO法计算了属于元素半导体和AB型、AB2型化合物半导体的十种共价结构的能带。所得结果说明:它们的禁带宽度Eg都可统一地表为键能和邻键间共轭积分的线性函数,与共价结构的形式无关。给出许多文献用键性质归纳Eg数值规律的理论基础。

Abstract: The band structures of ten semiconductors of A,ABand AB2 types have been calculated by LCBO MO method. The results showed that the band gaps Eg can generally be expressed as a linear function of the bond energy and the resonance integrals between the neighbouring bonds, irrespective of the covalent structural types of the semiconductors. This provides a theoretical background for the empirical expressions between Eg and some properties of the chemical bonds reported in the literature.