First-principle calculations of elastic properties of Wurtzite-type aluminum nitride under pressure

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	First-principle calculations of elastic properties of Wurtzite-type aluminum nitride under pressure
	Y. L. Wang; H. L. Cui; B. R. Yu; X. R. Chen
	2008
发表期刊	Communications in Theoretical Physics
ISSN	0253-6102
卷号	49 期号:2 页码:489-492
摘要	The elastic properties of the wurtzite-type aluminum nitride (w-AlN) are investigated by ab initio plane-wave pseudopotential density functional theory method. The pressure dependences of the normalized primitive cell volume V/V-0, the elastic constants c(ij), the aggregate elastic modulus (B, G, E), the Poisson's ratio (nu), and the Debye temperature circle minus(D) are successfully obtained. From the elastic constants of the w-AlN under pressure, we find that the w-AlN should be unstable at higher pressure than 61.33 GPa.
部门归属	[wang yong-liang; yu bai-ru; chen xiang-rong] sichuan univ, coll phys sci & technol, chengdu 610064, peoples r china. [wang yong-liang; cui hong-ling; yu bai-ru; chen xiang-rong] sichuan univ, inst atom & mol phys, chengdu 610064, peoples r china. [chen xiang-rong] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;chen, xr (reprint author), sichuan univ, coll phys sci & technol, chengdu 610064, peoples r china;xrchen@126.corn
关键词	Density Functional Theory Elastic Properties W-aln Rock-salt-type Thermodynamic Properties Electronic-structure Aln Constants Crystals Zincblende Inn Gan Instabilities
URL	查看原文
WOS记录号	WOS:000253447100050
引用统计	被引频次：17[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33166
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. L. Wang,H. L. Cui,B. R. Yu,et al. First-principle calculations of elastic properties of Wurtzite-type aluminum nitride under pressure[J]. Communications in Theoretical Physics,2008,49(2):489-492.
APA	Y. L. Wang,H. L. Cui,B. R. Yu,&X. R. Chen.(2008).First-principle calculations of elastic properties of Wurtzite-type aluminum nitride under pressure.Communications in Theoretical Physics,49(2),489-492.
MLA	Y. L. Wang,et al."First-principle calculations of elastic properties of Wurtzite-type aluminum nitride under pressure".Communications in Theoretical Physics 49.2(2008):489-492.