Elastic anisotropy of OsB2 and RuB2 from first-principles study

被引：0
|
作者：
Hao, Xianfeng [1 ,3 ]
Xu, Yuanhui [2 ]
Wu, Zhijian [1 ]
Zhou, Defeng [2 ]
Liu, Xiaojuan [1 ]
Meng, Jian [1 ]
机构：
[1] Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, 130022, China
[2] School of Biological Engineering, Changchun University of Technology, Changchun, 130012, China
[3] Graduate School, Chinese Academy of Sciences, Beijing, 100049, China
来源：
Journal of Alloys and Compounds | 2008年 / 453卷 / 1-2期
关键词：
The elastic anisotropy of the potential low compressible and hard materials OsB2 and RuB2 were studied by first-principles investigation within density functional theory. The structure; elastic constants; bulk modulus; shear modulus; Poisson's ratio and Debye temperature have been calculated within both local density approximation (LDA) and generalized gradient approximation (GGA). The results indicated that the calculated bulk modulus and shear modulus were in good agreement with the experimental and previous theoretical studies. The calculated elastic constants anisotropic factors and directional bulk modulus showed that OsB2 and RuB2 possess high elastic anisotropic. © 2006 Elsevier B.V. All rights reserved;
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页码：413 / 417
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