The elastic properties of hexagonal osmium under pressure: The first-principles investigations

被引：28

作者：

Deng, X. H. ^{[1
]}

Lu, W. ^{[2
]}

Hu, Y. M. ^{[2
,3
,4
]}

Gu, H. S. ^{[3
,4
]}

机构：

[1] Hengyang Normal Univ, Dept Phys & Elect Informat Sci, Hengyang 421008, Peoples R China

[2] Hong Kong Polytech Univ, Dept Appl Phys, Kowloon, Hong Kong, Peoples R China

[3] Hubei Univ, State Key Lab Ferro & Piezoelect Mat & Devices Hu, Wuhan 430062, Peoples R China

[4] Hubei Univ, Fac Phys & Elect Technol, Wuhan 430062, Peoples R China

来源：

PHYSICA B-CONDENSED MATTER | 2009年 / 404卷 / 8-11期

关键词：

Equation of state; Elastic constants; Debye temperature; Hexagonal osmium; TRANSITION-METALS; CONSTANTS; GAAS;

D O I：

10.1016/j.physb.2008.11.200

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The first-principles methods are adopted to investigate the equation of state (EOS) and elastic constants of hexagonal osmium at applied pressures up to 100 GPa. The obtained normalized volume dependence of the applied pressure is in agreement with the experiment. Five independent elastic constants at zero pressure and high pressure are calculated. From the obtained elastic constants, mechanical anisotropy, acoustic velocity anisotropy and Debye temperature Theta(D) at the applied pressure are also calculated. The results obtained are consistent with the available experimental and theoretical data. The acoustic velocity anisotropy as a function of the applied pressure is presented. (C) 2008 Elsevier B.V. All rights reserved.

引用

页码：1218 / 1221

页数：4

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