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Y2Ti2O7:Cr3+晶体中Cr3+杂质中心EPR参量及缺陷结构研究

Wang FANG,Heng-Jie CHEN,Wen-Yan YANG,Feng-Kui LIU,Hai-Yan TANG

Journal of Sichuan University(Natural Science Edition)（2012）

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Abstract
本文利用强场图像中的高阶微扰公式计算了Y2 Ti2 O7:Cr3+晶体的电子顺磁共振谱(EPR)参量(g因子g//,g⊥和零场分裂D),计算中采用双旋—轨耦合参量模型,同时考虑了中心离子和配体的旋—轨耦合对EPR参量的贡献,计算结果与实验值很好地吻合.结果表明Cr3+掺入Y2 Ti2 O7晶体会引起O2-偏向[1 1 1]方向(C3轴)2.55°,同时,杂质中心O2-— Cr3+键长相对于基质晶体的O2-— Ti4+键长增加0.005 A.
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Key words
electron paramagnetic resonance(EPR),crystal-field theory,defect structure,Y_2 Ti_2O_7:Cr~(3+)
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