Theoretical calculations of the optical band positions and spin-Hamiltonian parameters for Cr3+ ions in Y2Ti2O7 crystal

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	Theoretical calculations of the optical band positions and spin-Hamiltonian parameters for Cr3+ ions in Y2Ti2O7 crystal
	Y. Mei; Y. G. Yang; W. C. Zheng
	2012
发表期刊	Physica B-Condensed Matter
ISSN	0921-4526
卷号	407 期号:18 页码:3881-3883
摘要	The optical band positions and spin-Hamiltonian parameters (g factors g(parallel to) g(perpendicular to) and zero-field splitting D) for the trigonal Cr3+ centers in Y2Ti2O7 crystal are calculated from the complete diagonalization (of energy matrix) method based on the two-spin-orbit-parameter model. In the calculations, the contributions to spectral data from both the spin-orbit parameter of central d(n) ion and that of ligand ion are considered and the crystal field parameters used are estimated from the superposition model. The calculated results are in reasonable agreement with the experimental values. The defect structures of Cr3+ center is suggested. (C) 2012 Elsevier B.V. All rights reserved.
部门归属	[mei yang] mianyang normal univ, sch phys & elect engn, mianyang 621000, sichuan, peoples r china. [yang yu-guang; zheng wen-chen] sichuan univ, dept mat sci, chengdu 610064, peoples r china. [zheng wen-chen] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [mei yang] caep, res ctr laser fus, mianyang 621900, peoples r china.;mei, y (reprint author), mianyang normal univ, sch phys & elect engn, mianyang 621000, sichuan, peoples r china.;pumermei@163.com
关键词	Electron Paramagnetic Resonance (Epr) Defect Structure Crystal- And Ligand-field Theory Y2ti2o7 Cr3++ Electron-paramagnetic-resonance Atomic Screening Constants Rare-earth Temperature-dependence Single-crystals Scf Functions Jahn-teller Field Epr Distortions
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60156
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. Mei,Y. G. Yang,W. C. Zheng. Theoretical calculations of the optical band positions and spin-Hamiltonian parameters for Cr3+ ions in Y2Ti2O7 crystal[J]. Physica B-Condensed Matter,2012,407(18):3881-3883.
APA	Y. Mei,Y. G. Yang,&W. C. Zheng.(2012).Theoretical calculations of the optical band positions and spin-Hamiltonian parameters for Cr3+ ions in Y2Ti2O7 crystal.Physica B-Condensed Matter,407(18),3881-3883.
MLA	Y. Mei,et al."Theoretical calculations of the optical band positions and spin-Hamiltonian parameters for Cr3+ ions in Y2Ti2O7 crystal".Physica B-Condensed Matter 407.18(2012):3881-3883.