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Optical spectra of MgO:Cr3+ and MgO:V2+ and their pressure-induced shifts
D. P. Ma ; D. E. Ellis
刊名Journal of Luminescence
1997
卷号71期号:4页码:329-339
关键词crystal field theory lattice relaxation density functional theory transition metal impurity optical absorption MgO:Cr3+ MgO:V2+ line thermal-shift theoretical calculations r-line reflectivity spectra absorption-spectra raman-spectra dependence impurities ruby mgo
ISSN号0022-2313
中文摘要The R line and U band optical spectra of substitutional Cr3+ and V2+ in MgO have been calculated at normal pressure, and their pressure-induced shifts have been determined by use of the semi-empirical crystal-field (CF) theory and the first-principles SCF embedded-cluster discrete variational (DV-X alpha) method. Local lattice relaxations around the impurity ion have been determined to high precision by matching theoretical to experimental spectra. The excellent agreement between crystal-field, SCF, and experimental results verifies the proposed dependence of CF parameters upon pressure, and shows that the SCF approach can be used with confidence in cases where insufficient data are available for semiempirical fitting.
原文出处://WOS:A1997XE74300010
公开日期2012-04-14
内容类型期刊论文
源URL[http://ir.imr.ac.cn/handle/321006/38045]  
专题金属研究所_中国科学院金属研究所
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D. P. Ma,D. E. Ellis. Optical spectra of MgO:Cr3+ and MgO:V2+ and their pressure-induced shifts[J]. Journal of Luminescence,1997,71(4):329-339.
APA D. P. Ma,&D. E. Ellis.(1997).Optical spectra of MgO:Cr3+ and MgO:V2+ and their pressure-induced shifts.Journal of Luminescence,71(4),329-339.
MLA D. P. Ma,et al."Optical spectra of MgO:Cr3+ and MgO:V2+ and their pressure-induced shifts".Journal of Luminescence 71.4(1997):329-339.
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