Lattice mismatch consequences for the intrinsic characteristics in the dilute (Zn, Se)O alloys

被引：13

作者：

Belabbes, A. ^{[1
]}

Zaoui, A.

Ferhat, M.

机构：

[1] Univ Sci & Technol Oran, LEPM, Dept Phys, Oran, Algeria

[2] Univ Sci & Technol Lille, Polytech Lille, LML UMR 8107, F-59655 Villeneuve Dascq, France

[3] Uppsala Univ, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2007年 / 19卷 / 45期

关键词：

D O I：

10.1088/0953-8984/19/45/456212

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

By means of ab initio pseudopotential calculations, we investigate the effect of lattice mismatch on the intrinsic properties in the dilute ZnOxSe1- x alloys. The substitution of isovalent elements having a large electronegativity and size mismatch with respect to the replaced atoms leads to strong nonlinear effects in the properties of the host crystal. From a detailed analysis of the bowing, we notice that the relative contribution of the three components ( volume, charge exchange, and strain) shows that the most significant effect is caused by the structural relaxation.

引用

页数：6

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