Electronic structure of phosphorus under high pressure

被引：0
作者：
Nishikawa, A
Niizeki, K
Shindo, K
机构：
[1] Chiba Keizai Coll, Inage Ku, Chiba 2630021, Japan
[2] Tohoku Univ, Fac Sci, Dept Phys, Sendai, Miyagi 9808578, Japan
[3] Iwate Univ, Coll Humanities & Social Sci, Morioka, Iwate 0208550, Japan
来源：
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 2001年 / 223卷 / 01期
关键词：
D O I：
10.1002/1521-3951(200101)223:1<189::AID-PSSB189>3.0.CO;2-7
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We have performed band structure calculations of high pressure phases of phosphorus within the local-density-functional formalism and the norm-conserving pseudopotential method. The structural stability of the simple hexagonal phase of phosphorus has been studied, and the calculated transition pressure from the simple cubic phase to the simple hexagonal phase, the equation of states, and the c/a ratio are in good agreement with the measured results.
引用
收藏
页码：189 / 193
页数：5
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