| Theoretical studies of the dependence of EPR parameters on local structure for the tetragonal Er3+ centres in YVO4 and ScVO4 | |
| Chai, Rui-Peng; Hao, Dan-Hui; Kuang, Xiao-Yu; Liang, Liang; scu_xykuang@163.com | |
| 2015 | |
| Source Publication | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| ISSN | 1386-1425 |
| Volume | 150Pages:829-836 |
| Abstract | The dependences of the EPR parameters on the local distortion parameters Delta theta and Delta R as well as the crystal-field parameters have been studied by diagonalizing the 364 x 364 complete energy matrices for a tetragonal Er3+ centre in the YVO4 and ScVO4 crystals. The results show that the local distortion angle Delta theta and the fourth-order crystal-field parameter (A) over bar (4) are most sensitive to the EPR g-factors g(parallel to) and g(perpendicular to), whereas the local distortion length Delta R and the second-order parameter (A) over bar (2) are less sensitive to the g-factors. Furthermore, we found that the abnormal EPR g-factors for the Er3+ ion in the ScVO4 may be ascribed to the stronger nephelauxetic effect and covalent bonding effect, as a result of an expanded local distortion for the Er3+ centre in the ScVO4 crystal. Simultaneously, the contributions of the J-J mixing effects from the terms of excited states to the EPR parameters have been evaluated quantitatively. (C) 2015 Elsevier B.V. All rights reserved. |
| description.department | [chai, rui-peng ; liang, liang] xian univ architecture & technol, dept phys, xian 710055, peoples r china ; [hao, dan-hui] xian univ architecture & technol, hua qing coll, xian 710043, peoples r china ; [kuang, xiao-yu] sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china ; [kuang, xiao-yu] acad sinica, int ctr mat phys, shenyang 110016, peoples r china |
| Keyword | Epr Parameters Local Lattice Structure Covalent Bonding Effect J-j Mixing Effect |
| Funding Organization | National Natural Science Foundation of China [10974138]; Foundation of Xi'an University of Architecture and Technology [DB12067] |
| Indexed By | sci |
| Language | 英语 |
| WOS ID | WOS:000361774900098 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/75212 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | scu_xykuang@163.com |
| Recommended Citation GB/T 7714 | Chai, Rui-Peng,Hao, Dan-Hui,Kuang, Xiao-Yu,et al. Theoretical studies of the dependence of EPR parameters on local structure for the tetragonal Er3+ centres in YVO4 and ScVO4[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2015,150:829-836. |
| APA | Chai, Rui-Peng,Hao, Dan-Hui,Kuang, Xiao-Yu,Liang, Liang,&scu_xykuang@163.com.(2015).Theoretical studies of the dependence of EPR parameters on local structure for the tetragonal Er3+ centres in YVO4 and ScVO4.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,150,829-836. |
| MLA | Chai, Rui-Peng,et al."Theoretical studies of the dependence of EPR parameters on local structure for the tetragonal Er3+ centres in YVO4 and ScVO4".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 150(2015):829-836. |
| Files in This Item: | There are no files associated with this item. | |||||
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment