Predicting hardness of covalent/ionic solid solution from first-principles theory

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	Predicting hardness of covalent/ionic solid solution from first-principles theory
	Q. M. Hu ; K. Kadas ; S. Hogmark ; R. Yang ; B. Johansson ; L. Vitos
刊名	Applied Physics Letters
	2007
卷号	91 期号:12
关键词	cubic silicon-nitride superhard materials potential model metal approximation alloys
ISSN号	0003-6951
中文摘要	We introduce a hardness formula for the multicomponent covalent and ionic solid solutions. This expression is tested on nitride spinel materials A(3)N(4) (A=C,Si,Ge) and applied to titanium nitrogen carbide (TiN(1-x)C(x) with 0 <= x <= 1), off-stoichiometric transition-metal nitride (TiN(1-x) and VN(1-x) with x <= 0.25), and B-doped semiconductors (C(1-x)B(x), Si(1-x)B(x), and Ge(1-x)B(x) with x <= 0.1). In all cases, the theoretical hardness is in good agreement with experiments.
原文出处	://WOS:000249667200043
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/33587]
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	Q. M. Hu,K. Kadas,S. Hogmark,et al. Predicting hardness of covalent/ionic solid solution from first-principles theory[J]. Applied Physics Letters,2007,91(12).
APA	Q. M. Hu,K. Kadas,S. Hogmark,R. Yang,B. Johansson,&L. Vitos.(2007).Predicting hardness of covalent/ionic solid solution from first-principles theory.Applied Physics Letters,91(12).
MLA	Q. M. Hu,et al."Predicting hardness of covalent/ionic solid solution from first-principles theory".Applied Physics Letters 91.12(2007).