Theoretical investigation of tungstate crystals with point defects

被引：14

作者：

Hizhnyi, Yu. A. ^{[1
]}

Nikolaenko, T. N. ^{[1
]}

Nedilko, S. G. ^{[1
]}

机构：

[1] Kyiv Natl Taras Shevchenko Univ, Fac Phys, 2 Block 1,Acad Hlushkova Ave, UA-03680 Kiev, Ukraine

来源：

PHYSICA STATUS SOLIDI C - CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 4, NO 3 | 2007年 / 4卷 / 03期

关键词：

D O I：

10.1002/pssc.200673838

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure of WO66- - Zn2+ complex in ZnWO4 crystal is calculated by the configuration interaction method in embedded cluster approach. The dependencies of energies of the electronic states of WO66- - Zn2+ centre on displacements of atomic coordinates that model vibrations Of WO66- group are calculated. Spectrum of ZnWO4 crystal intrinsic emission is explained on the basis of obtained results. The influence of nearby V-O and V-Zn vacancies on electronic structure of WO66- - Zn2+ complex is studied. (c) 2007 WELEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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页码：1217 / +

页数：2

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