Pressure derivatives of bulk modulus of cuprous halides

被引：0
作者：
Misra, G. [1 ]
Gupta, S. [1 ]
Goyal, S. C. [1 ]
机构：
[1] Agra Coll, Dept Phys, Agra 282002, Uttar Pradesh, India
来源：
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES INDIA SECTION A-PHYSICAL SCIENCES | 2007年 / 77A卷
关键词：
bulk modulus; DF formalism; pseudopotential; semiconductors;
D O I：
暂无
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
The expressions for bulk modulus and its pressure derivatives for group I-VII compounds are derived within pseudopotential framework. For this the ab initio pseudopotential approach to the total crystal energy is presented using local DF formalism. The computed results (through empirical relation and through ab initio calculations) are very close to the available experimental data.
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页码：59 / 63
页数：5
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