Unified calculation of thermal shifts and broadenings of sharp lines and zero-field splitting for ruby

IMR OpenIR

	Unified calculation of thermal shifts and broadenings of sharp lines and zero-field splitting for ruby
	D. P. Ma; Y. Y. Liu; N. Ma; J. R. Chen
	1999
发表期刊	Communications in Theoretical Physics
ISSN	0253-6102
卷号	32 期号:2 页码:161-168
摘要	A new theory of spectral thermal shifts (TS) and thermal broadenings (TB) has been developed. For the first time, by taking into account all the Gamma M in the electron-phonon interaction (EPI), all the levels and the admixtures of wavefunctions within d(3) electronic configuration, the microscopic expressions; of all the parameters in three terms of TS from EPI have been derived; their values for the R-1, R-2 and ground levels of ruby have been evaluated; the contributions to TS from thermal expansion have also been calculated; the transition probabilities of direct and Raman processes have microscopically been calculated; and then, the unified calculation of the TS of R-1 and R-2 lines and zero-field-splitting (ZFS) for the ground state and the TB of R, R' and B line-groups has been accomplished. The results are in very good agreement with a lot of experimental data. It is found that the contributions from the second-order term of EPI Hamiltonian are dominant in the optical-branch term of ZFS and Raman terms of R-1 line, R-2 line and ZFS; the optical-branch terms play an important role in TS and increase rapidly with temperature, and the optical-branch terms of R1 and R2 lines have opposite signs due to the effects of neighbor levels; the neighbor-level terms for R1 and R-2 lines are very important and it is the admixtures of wavefunctions caused by Coulomb and/or trigonal-field and/or spin-orbit interactions that make them nonzero; the contributions to TS from thermal expansion are also important (especially for ZFS).
部门归属	sichuan univ, dept appl phys, chengdu 610065, peoples r china. acad sinica, 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	Crystal Fields Optical Properties Phonons Electronic Structure Thermal Expansion R-line Temperature
URL	查看原文
WOS记录号	WOS:000082300800001
引用统计	被引频次：7[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/321006/37449
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. P. Ma,Y. Y. Liu,N. Ma,et al. Unified calculation of thermal shifts and broadenings of sharp lines and zero-field splitting for ruby[J]. Communications in Theoretical Physics,1999,32(2):161-168.
APA	D. P. Ma,Y. Y. Liu,N. Ma,&J. R. Chen.(1999).Unified calculation of thermal shifts and broadenings of sharp lines and zero-field splitting for ruby.Communications in Theoretical Physics,32(2),161-168.
MLA	D. P. Ma,et al."Unified calculation of thermal shifts and broadenings of sharp lines and zero-field splitting for ruby".Communications in Theoretical Physics 32.2(1999):161-168.