Theoretical investigation of optical spectra and covalent effect of Cr<sup>4+sup> in Y<sub>2sub>Ti<sub>2sub>O<sub>7sub> and Y<sub>2sub>Sn<sub>2sub>O<sub>7sub>
- 作者：Wen-Lin Feng<sup>asup><sup> ; sup><sup>csup><sup> ; sup><sup>dsup><sup> ; sup><sup>wenlinfeng@126.comsup> ; Ji-Yuan Xue<sup>bsup>
- 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 3d<sup>2sup> (3d<sup>8sup>) 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 Cr<sup>4+sup> in Y<sub>2sub>Ti<sub>2sub>O<sub>7sub> and Y<sub>2sub>Sn<sub>2sub>O<sub>7sub> 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 Y<sub>2sub>Ti<sub>2sub>O<sub>7sub> and Y<sub>2sub>Sn<sub>2sub>O<sub>7sub> is removed. The theoretical results are in good agreement with observed data.