Structural, elastic and electronic properties of AIN:: A first principles study

被引：14
|
作者：
Ciftci, Y. O. [1 ]
Colakoglu, K. [1 ]
Deligoz, E. [1 ]
机构：
[1] Gazi Univ, Art & Sci Fac, Dept Phys, TR-06500 Ankara, Turkey
来源：
PHYSICA STATUS SOLIDI C - CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 4, NO 2 | 2007年 / 4卷 / 02期
关键词：
D O I：
10.1002/pssc.200673247
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The brief results of the first-principles ground-state total energy calculations for aliminium nitrat(AlN) in zincblende and rocksalt structures are presented. Structural, elastic, and electronic calculations are performed using the SIESTA method with norm-conserving pseudopotentials. The obtained results are compared with the available experimental and other theoretical data, and the agreement is, generally, quite good. (c) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
引用
收藏
页码：234 / +
页数：3
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