LaAlO3: Cr3+低温常压下的能谱和顺磁 g 因子的统一解释

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.

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

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.