OFF-CENTER ATOMIC DISPLACEMENTS IN ZINCBLENDE SEMICONDUCTOR

被引：59
|
作者：
WEI, SH
ZHANG, SB
ZUNGER, A
机构：
[1] National Renewable Energy Laboratory, Golden
来源：
PHYSICAL REVIEW LETTERS | 1993年 / 70卷 / 11期
关键词：
D O I：
10.1103/PhysRevLett.70.1639
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We have studied theoretically the conditions for the occurrence of spontaneous off-center atomic displacements in pure zinc-blende semiconductors. A pseudo Jahn-Teller coupling of a chemically active valence d band with an s-like conduction band is predicted to lead to such a metastability. All-electron density functional calculations confirm that this is the case in CuCl. The unusual experimental manifestations of this metastability are outlined.
引用
收藏
页码：1639 / 1642
页数：4
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