Theoretical calculations of optical and EPR spectra and their pressure-induced shifts for ruby

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	Theoretical calculations of optical and EPR spectra and their pressure-induced shifts for ruby
	D. P. Ma; H. M. Zhang; Y. Y. Liu; J. R. Chen; N. Ma
	1999
发表期刊	Journal of Physics and Chemistry of Solids
ISSN	0022-3697
卷号	60 期号:4 页码:463-473
摘要	By taking into account the effect of variation in angular wavefunction, by reconsidering the expressions of spin-orbit coupling parameters, by diagonalizing the complete d(3) energy matrix in a trigonally distorted cubic-field and using the wavefunctions from it, the unified calculation of the whole energy spectrum and EPR spectrum for ruby and their pressure-induced shifts was carried out. All the calculated results are in very good agreement with a lot of the optical and EPR experimental data. The estimation by use of superposition model has also demonstrated the reality of calculated results and the high sensitivity of trigonal-field parameters to angular variation. The rates of change of levels with respect to various parameters, the variations of parameters with pressure and the contributions to levels from various parameters were calculated. The distinct differences in magnitude and/or sign of pressure-induced shifts of various levels are immediately determined by their characteristic dependencies on the parameters of interactions. The pressure-induced shifts of levels and g factors have provided important criteria for the correctness of calculations and assignments of the energy spectrum and wavefunctions. (C) 1999 Elsevier Science Ltd. All rights reserved.
部门归属	sichuan union univ, dept appl phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110015, peoples r china. sichuan union univ, dept comp sci, chengdu 610064, peoples r china.;ma, dp (reprint author), sichuan union univ, dept appl phys, chengdu 610065, peoples r china
关键词	Optical Materials High Pressure Crystal Fields Optical Properties Electronic Paramagnetic Resonance (Epr) Entire Energy-spectrum R-lines Superposition-model Crystal Fields Dependence State Absorption Equation Cr3++ Gpa
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WOS记录号	WOS:000079461800006
引用统计	被引频次：34[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/321006/37453
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. P. Ma,H. M. Zhang,Y. Y. Liu,et al. Theoretical calculations of optical and EPR spectra and their pressure-induced shifts for ruby[J]. Journal of Physics and Chemistry of Solids,1999,60(4):463-473.
APA	D. P. Ma,H. M. Zhang,Y. Y. Liu,J. R. Chen,&N. Ma.(1999).Theoretical calculations of optical and EPR spectra and their pressure-induced shifts for ruby.Journal of Physics and Chemistry of Solids,60(4),463-473.
MLA	D. P. Ma,et al."Theoretical calculations of optical and EPR spectra and their pressure-induced shifts for ruby".Journal of Physics and Chemistry of Solids 60.4(1999):463-473.