Researching the spin-Hamiltonian parameters of Cr5+ ions in CaWO4 and CaMoO4 crystals with the two-mechanism model

被引：2

作者：

Zhang, Liang ^{[1
]}

Mei, Yang ^{[1
]}

Wei, Cheng-Fu ^{[1
]}

Zheng, Wen-Chen ^{[2
]}

机构：

[1] Mianyang Normal Univ, Sch Phys & Elect Engn, Mianyang 621000, Peoples R China

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

来源：

RADIATION EFFECTS AND DEFECTS IN SOLIDS | 2015年 / 170卷 / 11期

关键词：

ionic crystals; impurities; EPR; defects; oxides; ELECTRON-PARAMAGNETIC-RESONANCE; ATOMIC SCREENING CONSTANTS; FIELD; DISTANCE; CENTERS; SPECTRA; EPR;

D O I：

10.1080/10420150.2016.1138223

中图分类号：

TL [原子能技术]; O571 [原子核物理学];

学科分类号：

0827 ; 082701 ;

摘要：

The high-order perturbation formulas based on the two-mechanism model are adopted to calculate the spin-Hamiltonian parameters (g factors g(//), g(perpendicular to) and hyperfine structure constants A(//), A(perpendicular to)) of the tetragonal Cr5+ centers in CaWO4 and CaMoO4 crystals. In the model, besides the vastly used crystal-field (CF) mechanism concerning the CF excited states, the generally omitted charge-transfer (CT) mechanism related to CT excited states are taken into account. The calculated results are rationally coincident with the experimental values. The signs of constants A(//), A(perpendicular to) and the impurity-induced angular distortion of Cr5+ centers in both crystals are suggested from the calculations. The results (including the relative importance of CT mechanism) are discussed.

引用

页码：931 / 937

页数：7

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