Cr^(3+)离子在SrLaAlO_4中电子顺磁共振参量的理论研究  

Theoretical studies of the EPR parameters for Cr^(3+) ion in SrLaALO_4

作　　者：王珏[1] 董会宁[1] 孟莎莎[1] 

机构地区：[1]重庆邮电大学应用物理研究所,重庆400065

出　　处：《重庆邮电大学学报（自然科学版）》2010年第3期322-324,共3页Journal of Chongqing University of Posts and Telecommunications(Natural Science Edition)

基　　金：重庆市自然科学基金(CSTC;2007BB4385;2007BB4391;2008BB4083);重庆市教委项目(KJ060515);重庆邮电大学自然科学基金(A2009-43)~~

摘　　要：电子顺磁共振谱(electron paramagnetic resonance,EPR)参量对杂质离子局域结构极为敏感,对EPR参量的理论研究可以用来确定材料的离子占位和缺陷结构等。从晶体场理论出发,用高阶微扰公式和晶体结构数据和重叠模型获得晶场参量,计算出Cr3+离子在八面体晶体SrLaAlO4中的的自旋哈密顿参量g因子和零场分裂参量D,计算中所用到的参量由该晶体的光谱和结构数据获得,计算结果和实验数据较为符合,并对计算结果进行了分析。Electron paramagnetic resonance（EPR） parameters are sensitive to the local structure of the impurity ions.Theoretical studies on the EPR parameters can be used to ascertain the ion location and defect structure of the impurity ions.On the basis of the crystal-field theory,the spin Hamitonian parameters g and D of Cr3＋ ion in the octahedral crystal SrLaAlO4 were calculated by the aid of the high-order perturbation formulas and the crystal-field parameters obtained from the superposition model and the structural data.The parameters were obtained from the optical spectral and structural data of the studied crystal.The calculated results are in agreement with the observed values,with the reasonableness discussed.

关 键 词：电子顺磁共振 晶体场理论 SrLaAlO4晶体 Cr3+离子 

分 类 号：O737[理学—晶体学]