Theoretical calculations of thermal shifts of ground-state zero-field-splitting for ruby

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	Theoretical calculations of thermal shifts of ground-state zero-field-splitting for ruby
	D. P. Ma; J. R. Chen; N. Ma
	2001
发表期刊	Communications in Theoretical Physics
ISSN	0253-6102
卷号	36 期号:3 页码:357-364
摘要	By taking into account all the irreducible representations and their components in the electron-phonon interaction (EPI) as well as all the levels and the admixtures of wavefunctions within d(3) electronic configuration, the thermal shifts (TS) of the ground-state zero-field-splitting (GSZFS) due to EPI for ruby have microscopic-theoretically been calculated; the contribution to TS of GSZFS from thermal expansion has also been calculated. The results are in very good agreement with experiments. It is found that the contributions from the first-order perturbation of the second-order term in EPI Hamiltonian are dominant in the Raman term and optical-branch term for TS of GSZFS; the different between the TS due to EPI of t(2)(3 4)A(2) +/-1/2e(2) (G(2)) level and the TS due to EPI of t(2)(3) (4)A(2) +/- 3/2e(2) (G(1)) level gives rise to the TS due to EPI of GSZFS, which is very small in comparison with the TS due to EPI of G(2) or G(1) level. Among various terms in TS of GSZFS, Raman term is the largest one and the signs of the Raman term and optical-branch term are opposite to the sign of the thermal-expansion term; the optical-branch term plays an important role in TS of GSZFS and increases rapidly with temperature; all various contributions to TS of GSZFS have to be taken into account, since the subtle balance among them determines the total result. The comparison between the features of TS of GSZFS and those of TS of R-1 and R-2 lines has been made. For TS of GSZFS, the contribution from thermal expansion is especially important; the neighbor-level term is insignificant.
部门归属	chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. sichuan univ, dept comp sci, chengdu 610064, peoples r china.;ma, dp (reprint author), sichuan univ, dept appl phys, chengdu 610065, peoples r china
关键词	Optical Materials Crystal Fields Electronic Paramagnetic Resonance Phonons Thermal Expansion Pressure-induced Shifts Optical-spectra Mgo-v2++
URL	查看原文
WOS记录号	WOS:000171974200021
引用统计	被引频次：6[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/321006/36746
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. P. Ma,J. R. Chen,N. Ma. Theoretical calculations of thermal shifts of ground-state zero-field-splitting for ruby[J]. Communications in Theoretical Physics,2001,36(3):357-364.
APA	D. P. Ma,J. R. Chen,&N. Ma.(2001).Theoretical calculations of thermal shifts of ground-state zero-field-splitting for ruby.Communications in Theoretical Physics,36(3),357-364.
MLA	D. P. Ma,et al."Theoretical calculations of thermal shifts of ground-state zero-field-splitting for ruby".Communications in Theoretical Physics 36.3(2001):357-364.