Theoretical investigation of optical spectra and covalent effect of Cr⁴⁺ in Y₂Ti₂O₇ and Y₂Sn₂O₇

详细信息	查看全文 | 推荐本文 |

• 作者：Wen-Lin Feng^a ; ^c ; ^d ; ^{wenlinfeng@126.com} ; Ji-Yuan Xue^b
• 关键词：Optical spectra ; Covalent effect ; Two spin&ndash ; orbit coupling parameters model ; Cr4+ ; Y2Ti2O7 and Y2Sn2O7
• 刊名：Physica B
• 出版年：2012
• 期刊代码：53_09214526
• 类别：ph
• 出版时间：15 June, 2012
• 卷：407
• 期：12
• 页码：2344-2346
• 文件大小：123 K

摘要

In this work, the complete matrix of optical spectral levels in trigonal symmetry of 3d² (3d⁸) ions are established on basis of strong field coupling mechanism by using two spin-orbit coupling parameters model. The contribution of the spin-orbit coupling of ligand to the optical spectra has been included in these formulas. As an application, the optical spectra of Cr⁴⁺ in Y₂Ti₂O₇ and Y₂Sn₂O₇ have been studied by the complete diagonalization (energy matrix) method. The covalent effect has been studied and the difficulty about Dq parameter in explanation of optical spectra of Cr-doped Y₂Ti₂O₇ and Y₂Sn₂O₇ is removed. The theoretical results are in good agreement with observed data.