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| 激光晶体Y3Ga5O12:Cr3+的MS-Xα计算 | |
| 引用本文： | 文根旺,王麓雅,刘颂豪. 激光晶体Y3Ga5O12:Cr3+的MS-Xα计算[J]. 中国激光, 1988, 15(7): 412-416 |
| 作者姓名： | 文根旺 王麓雅 刘颂豪 |
| 作者单位： | 文根旺:湖南师范大学物理系 王麓雅:湖南师范大学物理系 刘颂豪:华南师范大学物理系 |
| 摘 要： | 本文报道了具有D3d格位对称性的过渡金属络合离子团[CrO6]9-的自旋非限制MS-Xα计算结果.给出了单电子本征值与本征函数.讨论了激光晶体Y3Ga5O12:Cr3+的电子结构.用Slater过渡态方法计算了晶场分裂参数10Dq及晶场低对称畸变引起的电子能级分裂值及一些反映局域电子结构的参数.计算结果与实验符合较好. |
| 收稿时间： | 1987-02-23 |
Study of Y3Ga5O12:Cr3+ laser crystal by means of MS-Xα method |
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| Abstract: | Chis paper reports the calculation results of (CrO6)9- transition metal cluster on D3d symotetry site by means of spin unrestricted MS-Xa method. It gives out the single electronic eigenvalues and wave function, discusses the electronic structure of Y3Ga6O12:Cr2+ laser crystal and calculates the 10Dq crystal field parameter and the energy splitting due to low symmetry distortion of the lattice site by Slater transition state concept. The calculation results are in good agreement with the experimental results. |
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