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Investigation of the local structure and ZFS parameter for Ni(2+) (V(2+)) ions in Zinc Fluosilicate at different pressure

文献类型:期刊论文

作者C. G. Li ; X. Y. Kuang ; Y. R. Zhao ; R. P. Chai ; H. Li
刊名Chemical Physics Letters
出版日期2011
卷号512期号:4-6页码:263-268
关键词atomic screening constants scf functions epr-spectra temperature crystals nickel zno distortions dependence cluster
ISSN号0009-2614
中文摘要Based on the complete energy matrix approach, the local structure and zero field splitting (ZFS) parameter for ZnSiF(6)center dot 6H(2)O:Ni(2+) (V(2+)) systems are theoretically studied for 3d(n) (n = 3, 8) ions in trigonal symmetry at different pressure. In this approach, the contributions from the admixture of d orbitals of the central ions with the p orbitals of the ligands are considered. In addition, the relationships between the ZFS parameter D and the pressure P as well as the local structure parameter theta are discussed. The effects of the average parameter zeta(1) and the different parameter zeta(2) on the ZFS parameter D are analyzed. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.
原文出处://WOS:000293883900027
公开日期2012-04-13
源URL[http://210.72.142.130/handle/321006/30449]  
专题金属研究所_中国科学院金属研究所
推荐引用方式
GB/T 7714
C. G. Li,X. Y. Kuang,Y. R. Zhao,et al. Investigation of the local structure and ZFS parameter for Ni(2+) (V(2+)) ions in Zinc Fluosilicate at different pressure[J]. Chemical Physics Letters,2011,512(4-6):263-268.
APA C. G. Li,X. Y. Kuang,Y. R. Zhao,R. P. Chai,&H. Li.(2011).Investigation of the local structure and ZFS parameter for Ni(2+) (V(2+)) ions in Zinc Fluosilicate at different pressure.Chemical Physics Letters,512(4-6),263-268.
MLA C. G. Li,et al."Investigation of the local structure and ZFS parameter for Ni(2+) (V(2+)) ions in Zinc Fluosilicate at different pressure".Chemical Physics Letters 512.4-6(2011):263-268.

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来源:金属研究所

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