First -: Principles studies on structural and electronic properties of ThN

被引：0
|
作者：
Arslan, S. [1 ]
Ciftci, Y. O. [1 ]
Colakoglu, K. [1 ]
Deligoz, E. [1 ]
机构：
[1] Gazi Univ, Dept Phys, Ankara, Turkey
来源：
SIX INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION | 2007年 / 899卷
关键词：
ThN; elastic constants; band structure; Ab initio calculations;
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We present an ab-initio study of the structural and electronic properties of ThN. The plane-wave pseudopotential approach to the density-functional theory within the generalized-gradient approximation implemented in VASP(Viena Ab-initio Simulation Package) is used. The calculated lattice parameter, elastic constants and band structures are compared with the available experimental and the other theoretical results, and good agreement is obtained.
引用
收藏
页码：578 / 578
页数：1
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