High-pressure phases of amorphous and crystalline silicon

被引：39
|
作者：
Durandurdu, M [1 ]
Drabold, DA
机构：
[1] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA
[2] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA
来源：
PHYSICAL REVIEW B | 2003年 / 67卷 / 21期
关键词：
D O I：
10.1103/PhysRevB.67.212101
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We study pressure-induced phase transitions in amorphous silicon and crystalline diamond silicon from Gibbs free energies considerations using ab initio total energy calculations. We predict a pressure-induced crystallization of the amorphous network at 2.5 GPa and a first order amorphous to amorphous phase transition at 9 GPa. Furthermore, we find a pressure-induced high density amorphization of crystalline diamond silicon around 15 GPa.
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页数：3
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