Studies of EPR parameters for Mn5+-doped Li3PO4 and Li3VO4 crystals

被引：9

作者：

Zheng Wen-Chen ^{[1
]}

Wu Xiao-Xuan

Fan Ying-Juan

机构：

[1] Sichuan Univ, Dept Mat Sci, Chengdu 610064, Peoples R China

[2] Civil Aviat Plying Inst China, Dept Phys, Guanghan 618307, Peoples R China

[3] Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2007年 / 66卷 / 01期

基金：

中国国家自然科学基金;

关键词：

electron paramagnetic resonance (EPR); crystal; and ligand-field theory; charge transfer mechanism; Mn5+; Li3PO4; Li3VO4;

D O I：

10.1016/j.saa.2006.02.030

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

The EPR parameters (zero-field splitting D and g factors g(vertical bar vertical bar), g(perpendicular to)) of Mn5+-doped Li3PO4 and Li3VO4 crystals are calculated from the complete high-order perturbation formulas based on a molecular orbital scheme for a 3d(2) ion in tetragonal MX4 clusters. These formulas include not only the contribution coming from crystal-field excitations, but also that arising from charge-transfer excitations (which is discarded in crystal field theory). The calculated results are in reasonable agreement with the observed values. The contributions to EPR parameters coming from the charge-transfer excitations are comparable with those arising from the crystal-field excitations. It appears that for a high valence state 3d(n) ion in crystals, the reasonable explanations of EPR parameters should take the contributions due to both crystal-field and charge-transfer excitations into account. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：102 / 105

页数：4

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