Bulk modulus and its pressure derivatives of cuprous halides

Misra G; Goyal SC

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Bulk modulus and its pressure derivatives of cuprous halides

机译：卤化亚铜的体积模量及其压力导数

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The ab initio pseudopotential approach to the total crystal energy is presented using local DF formalism. The expressions for bulk modulus, its first and second pressure derivatives for group I-VII semiconductor binary compounds are derived. The expression for the second pressure derivative of the bulk modulus for four-fold crystal structures is derived for the first time within the pseudopotential framework. The computed results of the bulk modulus for cuprous halides are very close to the available experimental data. (c) 2005 Elsevier Ltd. All rights reserved.

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《Solid State Communications》 |2005年第9期|p. 637-640|共4页
作者
Misra G; Goyal SC;
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作者单位

Agra Coll, Dept Phys, Agra 282002, Uttar Pradesh, India;

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原文格式 PDF
正文语种 eng
中图分类固体物理学;
关键词
semiconductors; four-fold crystal structure; elasticity-bulk modulus; electronic band structure; ELASTIC-CONSTANTS; CRYSTAL; LATTICE; SOLIDS; PSEUDOPOTENTIALS; ENERGY; BOND;

机译：半导体;四重晶体结构;弹性体模量;电子能带结构;弹性常数;晶体;晶格;固体;假牙;能量;键合;

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Bulk modulus and its pressure derivatives of cuprous halides

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