Structural instability in zinc-blende semiconductors

被引：0
|
作者：
Wei, Su-Huai [1 ]
Zhang, S.B. [1 ]
Zunger, Alex [1 ]
机构：
[1] Natl Renewable Energy Lab, Golden, United States
来源：
Ferroelectrics | 1994年 / 155卷 / 1 -4 pt 5期
关键词：
Copper compounds - Crystalline materials - Electron energy levels - Impurities - Stability - Structure (composition) - Zinc;
D O I：
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中图分类号：
学科分类号：
摘要：
The conditions for the occurrence of off-center atomic displacements in pure zinc-blende semiconductors have been studied. A coupling of a chemically active valence d band with an s-like conduction band is predicted to lead to such a metastability. Total energy calculations confirm that this is the case in CuCl and CuBr. The unusual experimental manifestations of this metastability are outlined.
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页码：127 / 132
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