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
	2007
发表期刊	Applied Physics Letters
ISSN	0003-6951
卷号	91 期号:12
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.
部门归属	chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. royal inst technol, dept mat sci & engn, se-10044 stockholm, sweden. uppsala univ, dept phys, condensed matter theory grp, se-75121 uppsala, sweden. hungarian acad sci, res inst solid state phys & opt, h-1525 budapest, hungary. uppsala univ, dept mat sci, se-75121 uppsala, sweden. dalian univ technol, sch phys & optoelect technol, dalian 116024, peoples r china. dalian univ technol, coll adv sci & technol, dalian 116024, peoples r china.;hu, qm (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china;qmhu@imr.ac.cn
关键词	Cubic Silicon-nitride Superhard Materials Potential Model Metal Approximation Alloys
URL	查看原文
WOS记录号	WOS:000249667200043
引用统计	被引频次：15[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/321006/33587
专题	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).