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发布时间：2019-03-09

论文类型：期刊论文

发表时间：2010-12-01

发表刊物：FUNCTIONAL MATERIALS LETTERS

收录刊物：Scopus、EI、SCIE

卷号：3

期号：4

页面范围：241-244

ISSN号：1793-6047

关键字：MgxZn1-xO alloy; bulk modulus; bond length; electronegativity; chemical bond

摘要：For the first time, a general viewpoint of electronegativity and chemical bond in alloy semiconductors, e.g., MgxZn1-xO (x = 0.0-1.0) was proposed. The variation of bulk modulus and bond length, as well as their dependence on Mg concentration x were quantitatively simulated. The bulk moduli of MgxZn1-xO alloys decrease with increasing Mg concentration x. The detailed variation of bond lengths of both Mg-O and Zn-O in MgxZn1-xO alloys in the whole composition range was determined, which is less than 0.007 angstrom. The valence state of Mg is larger than that of Zn when x = 0.0-1.0, which leads to the increase of valence state of O with increasing Mg concentration x. The current results clearly indicate that MgxZn1-xO condenses in an alloy state.