LaAlO3: Cr3+低温常压下的能谱和顺磁 g 因子的统一解释

波谱学杂志 ›› 2010, Vol. 27 ›› Issue (2): 249-253.

LaAlO₃: Cr³⁺低温常压下的能谱和顺磁 g 因子的统一解释

张萍 , 张纪平

四川大学物理科学与技术学院，四川成都 610064

收稿日期:2009-11-02 修回日期:2009-11-19 出版日期:2010-06-05 发布日期:2010-06-05

Interpretation of the Optical Spectra and Paramagnetic g Factor of LaAlO₃: Cr³⁺ under Low Temperature and Normal Pressure

ZHANG Ping , ZHANG Ji-Ping

College of Physical Science and Technology, Sichuan University, Chengdu 610064, China

Received:2009-11-02 Revised:2009-11-19 Online:2010-06-05 Published:2010-06-05

摘要/Abstract

摘要：

利用配位场理论，在强场方案下，建立了包括立方晶场、库仑相互作用、自旋-轨道耦合、低对称场的d³完全能量矩阵，对LaAlO₃：Cr³⁺在低温常压下的能谱进行了拟合，确定了相应的参量，得到了与实验值比较相符的能谱，并利用所得的波函数计算了LaAlO₃：Cr³⁺基态的 g 因子，与实验结果相吻合. 根据所得参量分析了Cr³⁺与配位体之间相互作用的特性.

关键词: 晶体场, 能谱, 完全能量矩阵, 铝酸镧

Abstract:

With the ligand field theory, a d³ complete energy matrix in the strong field scheme with trigonal bases was constructed, which include cubic crystal field, coulomb interactions, spin-orbit coupling and low-symmetry crystal field. The energy spectrum of LaAlO₃: Cr³⁺ under low temperature and normal pressure was calculated with the matrix, and the corresponding parameters were obtained. The calculated spectrum was found to be in good agreement with experimental data. The calculated ground state g factor of LaAlO₃: Cr³⁺ was also found to be consistent with the experimental values. With these results, the nature of the bonding interaction between Cr³⁺ and the ligands was discussed.

Key words: crystal field, energy spectrum, complete energy matrix, LaAlO₃

中图分类号:

O482.53
O737

张萍 , 张纪平. LaAlO₃: Cr³⁺低温常压下的能谱和顺磁 g 因子的统一解释[J]. 波谱学杂志, 2010, 27(2): 249-253.

ZHANG Ping , ZHANG Ji-Ping. Interpretation of the Optical Spectra and Paramagnetic g Factor of LaAlO₃: Cr³⁺ under Low Temperature and Normal Pressure[J]. Chinese Journal of Magnetic Resonance, 2010, 27(2): 249-253.

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LaAlO₃: Cr³⁺低温常压下的能谱和顺磁 g 因子的统一解释

Interpretation of the Optical Spectra and Paramagnetic g Factor of LaAlO₃: Cr³⁺ under Low Temperature and Normal Pressure

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