Elasticity properties of the low-compressible material ReB2

被引：32

作者：

Zhu, Xiaoling ^{[1
]}

Li, Dehua ^{[1
]}

Cheng, Xinlu ^{[2
]}

机构：

[1] Sichuan Normal Univ, Coll Phys & Elect Engn, Chengdu 610066, Gradignan, Peoples R China

[2] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610064, Sichuan, Peoples R China

来源：

SOLID STATE COMMUNICATIONS | 2008年 / 147卷 / 7-8期

基金：

中国国家自然科学基金;

关键词：

ReB2; first principles; elastic properties;

D O I：

10.1016/j.ssc.2008.05.038

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

By means of ab initio plane-wave pseudopotential density functional theory, the equilibrium structure parameters, the bulk module and shear module, and the elastic constants of ReB2 have been investigated. Our results are consistent with the experimental and previous theoretical data. Comparing it with other hard materials, we conclude that ReB2 is a sort of low-compressible material. The parameters of anisotropy are all larger than 1, which indicates that the hexagonal ReB2 is anisotropic. the elastic constant c(33) is larger than c(11) at all pressure points, which shows that the compressibility of ReB2 in the z direction is larger than that in the x and y directions. Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

引用

页码：301 / 304

页数：4

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