Studies of the defect structures and g factors for two trigonal Ti3+ centers in LaMgAl11O19 : Ti3+ crystal

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	Studies of the defect structures and g factors for two trigonal Ti3+ centers in LaMgAl11O19 : Ti3+ crystal; Studies of the defect structures and g factors for two trigonal Ti3+ centers in LaMgAl11O19 : Ti3+ crystal
	Z. Wen-Chen; F. Wang
	2007 ; 2007
发表期刊	Journal of Applied Physics ; Journal of Applied Physics
ISSN	0021-8979 ; 0021-8979
卷号	101 期号:11
摘要	The defect models of two trigonal Ti3+ centers in the LaMgAl11O19:Ti3+ (LMA:Ti3+) crystal are resuggested as center 1 at the 2a site and center 3 at the 4f site. By using the crystal field parameters Dq based on the suggestion, the g factors g(parallel to) and g(perpendicular to) for both Ti3+ centers are calculated from two microscopic spin-Hamiltonian theory methods, the complete diagonalization (of the energy matrix) method (CDM) and the perturbation theory method (PTM), based on the two spin-orbit (SO) parameter model (where both the contribution to spin-Hamiltonian parameters from the SO coupling parameter of the central 3d(n) ion and that of ligand ions are included). The calculated results from CMD and PTM are not only close to each other, but are also in agreement with the observed values. This suggests that (i) the present defect models of the two Ti3+ centers in the LMA:Ti3+ crystal are suitable and (ii) both CDM and PTM methods are effective to the explanations of spin-Hamiltonian parameters of 3d(1) ions in crystals. The defect structures of both Ti3+ centers (which are quite different from the corresponding structures in the host LMA crystal, in particular, for center 1, the oxygen octahedron changes from the trigonal elongation in the host LMA crystal to the trigonal compression in the Ti3+ center) are also estimated from the calculations. The results are discussed. (c) 2007 American Institute of Physics.; The defect models of two trigonal Ti3+ centers in the LaMgAl11O19:Ti3+ (LMA:Ti3+) crystal are resuggested as center 1 at the 2a site and center 3 at the 4f site. By using the crystal field parameters Dq based on the suggestion, the g factors g(parallel to) and g(perpendicular to) for both Ti3+ centers are calculated from two microscopic spin-Hamiltonian theory methods, the complete diagonalization (of the energy matrix) method (CDM) and the perturbation theory method (PTM), based on the two spin-orbit (SO) parameter model (where both the contribution to spin-Hamiltonian parameters from the SO coupling parameter of the central 3d(n) ion and that of ligand ions are included). The calculated results from CMD and PTM are not only close to each other, but are also in agreement with the observed values. This suggests that (i) the present defect models of the two Ti3+ centers in the LMA:Ti3+ crystal are suitable and (ii) both CDM and PTM methods are effective to the explanations of spin-Hamiltonian parameters of 3d(1) ions in crystals. The defect structures of both Ti3+ centers (which are quite different from the corresponding structures in the host LMA crystal, in particular, for center 1, the oxygen octahedron changes from the trigonal elongation in the host LMA crystal to the trigonal compression in the Ti3+ center) are also estimated from the calculations. The results are discussed. (c) 2007 American Institute of Physics.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wen-chen, z (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com ; sichuan univ, dept mat sci, chengdu 610064, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wen-chen, z (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwc1@163.com
关键词	Atomic Screening Constants Atomic Screening Constants Electron-spin-resonance Electron-spin-resonance Laser Material Laser Material Scf Scf Functions Functions Ion Ion Epr Epr Spectroscopy Spectroscopy Transition Transition Distortion Distortion Pressure Pressure
URL	查看原文 ; 查看原文
WOS记录号	WOS:000247306000093 ; WOS:000247306000093
引用统计	被引频次：4[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33902
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. Wen-Chen,F. Wang. Studies of the defect structures and g factors for two trigonal Ti3+ centers in LaMgAl11O19 : Ti3+ crystal, Studies of the defect structures and g factors for two trigonal Ti3+ centers in LaMgAl11O19 : Ti3+ crystal[J]. Journal of Applied Physics, Journal of Applied Physics,2007, 2007,101, 101(11).
APA	Z. Wen-Chen,&F. Wang.(2007).Studies of the defect structures and g factors for two trigonal Ti3+ centers in LaMgAl11O19 : Ti3+ crystal.Journal of Applied Physics,101(11).
MLA	Z. Wen-Chen,et al."Studies of the defect structures and g factors for two trigonal Ti3+ centers in LaMgAl11O19 : Ti3+ crystal".Journal of Applied Physics 101.11(2007).