Elastic and thermodynamic properties of c-BN from first-principles calculations

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	Elastic and thermodynamic properties of c-BN from first-principles calculations
	Y. J. Hao ; Y. Cheng ; Y. J. Wang ; X. R. Chen
刊名	Chinese Physics
	2007
卷号	16 期号:1 页码:217-222
关键词	elastic constants thermodynamic properties local density approximation c-BN cubic boron-nitride superconducting mgb2 zincblende bn constants phase aln gan transition pressure inn
ISSN号	1009-1963
中文摘要	The elastic constants and thermodynamic properties of c-BN are calculated using the first-principles plane wave method with the relativistic analytic pseudopotential of the Hartwigen, Goedecker and Hutter (HGH) type in the frame of local density approximation and using the quasi-harmonic Debye model, separately. Moreover, the dependences of the normalized volume V/V-0 on pressure P, as well as the bulk modulus B, the thermal expansion alpha, and the heat capacity C-V on pressure P and temperature T are also successfully obtained.
原文出处	://WOS:000243027400037
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/33566]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. J. Hao,Y. Cheng,Y. J. Wang,et al. Elastic and thermodynamic properties of c-BN from first-principles calculations[J]. Chinese Physics,2007,16(1):217-222.
APA	Y. J. Hao,Y. Cheng,Y. J. Wang,&X. R. Chen.(2007).Elastic and thermodynamic properties of c-BN from first-principles calculations.Chinese Physics,16(1),217-222.
MLA	Y. J. Hao,et al."Elastic and thermodynamic properties of c-BN from first-principles calculations".Chinese Physics 16.1(2007):217-222.