Second anion coordination for wurtzite and sphalerite chalcogenide derivatives as a tool for the description of anion sub-lattice

被引：40

作者：

Fedorchuk, A. O. ^{[1
]}

Parasyuk, O. V. ^{[2
]}

Kityk, I. V. ^{[2
,3
]}

机构：

[1] Lviv Natl Univ Vet Med & Biotechnol, Dept Inorgan & Organ Chem, UA-79010 Lvov, Ukraine

[2] Eastern European Natl Univ, Dept Inorgan & Phys Chem, UA-43025 Lutsk, Ukraine

[3] Czestochowa Tech Univ, Dept Elect Engn, PL-42200 Czestochowa, Poland

来源：

MATERIALS CHEMISTRY AND PHYSICS | 2013年 / 139卷 / 01期

关键词：

Semiconductors; Crystal structure; Crystallography; Chalcogenides; NONLINEAR SUSCEPTIBILITIES; INTERMETALLICS; CRYSTALS;

D O I：

10.1016/j.matchemphys.2012.12.058

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A new approach to describe anion sub-lattice for chalcogenide compounds is proposed. The approach is developed on the base of wurtzite and sphalerite structures and includes consideration of the second coordination sphere of anion atoms. A variety of discussed examples show that the second coordination surrounding may be formed both by single anion atoms and by atom pairs or more complex configurations. Considering some chalcogenide compounds, the efficiency of such approach is demonstrated for the search of some similarities between the compounds and for optimization of corresponding quantum chemical calculations. (C) 2013 Elsevier B.V. All rights reserved.

引用

页码：92 / 99

页数：8

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