ELECTRONIC-STRUCTURE OF CUCL

被引:67
作者
ZUNGER, A
COHEN, ML
机构
[1] UNIV CALIF BERKELEY,DEPT PHYS,BERKELEY,CA 94720
[2] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
来源
PHYSICAL REVIEW B | 1979年 / 20卷 / 03期
关键词
D O I
10.1103/PhysRevB.20.1189
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The electronic band structure of zinc-blende CuCl is computed using a self-consistent, first-principles, all-electron approach. The calculated energy levels agree with photoemission results and support a minimum-direct-gap interpretation of the optical data. Contrary to the indirect model proposed by Rusakov and used by Abrikosov to explain superdiamagnetism and/or high-temperature superconductivity, the calculated band-pressure coefficients do not yield an indirect gap at the pressure where anomalies appear. © 1979 The American Physical Society.
引用
收藏
页码:1189 / 1193
页数:5
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