| Theoretical calculations of thermal shifts and thermal broadenings of sharp lines and zero-field splitting for ruby. Part I. Thermal shifts of R-1 and R-2 lines | |
| D. P. Ma; Y. Y. Liu; N. Ma; J. R. Chen | |
| 2000 | |
| Source Publication | Journal of Physics and Chemistry of Solids
 |
| ISSN | 0022-3697 |
| Volume | 61Issue:5Pages:799-808 |
| Abstract | A new theory of spectral thermal shifts (TS) has been developed. For the first time, by taking into account all the irreducible representations and their components in the electron-phonon interaction (EPI), all the levels and the admixtures of wavefunctions within d(3) electronic configuration, the microscopic expressions for all the parameters in Raman, neighbor-level and optical-branch terms of TS due to 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; 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 thermal broadenings of R, R' and B line-groups have successfully been accomplished. It is found that the contributions from the second-order term of EPI Hamiltonian H-(2) are dominant in Raman terms of R-1 and R-2 lines; the optical-branch terms play an important role in TS and increase rapidly with temperature and the ones of R-1 and R-2 lines have opposite signs due to the effects of neighbor levels; the neighbor-level terms are very important and it is the admixtures of wavefunctions caused by Coulomb interaction between d electrons and/or trigonal-field and/or spin-orbit interactions that make them nonzero; the contributions to TS from thermal expansion are also important. (C) 2000 Elsevier Science Ltd. All rights reserved. |
| description.department | 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 |
| Keyword | Crystal Fields Optical Properties Phonons Electronic Structure Thermal Expansion Diamond-anvil Cell Entire Energy-spectrum R-line Pressure Measurement Temperature Spectroscopy Calibration Dependence |
| URL | 查看原文 |
| WOS ID | WOS:000085859000020 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/37128 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | D. P. Ma,Y. Y. Liu,N. Ma,et al. Theoretical calculations of thermal shifts and thermal broadenings of sharp lines and zero-field splitting for ruby. Part I. Thermal shifts of R-1 and R-2 lines[J]. Journal of Physics and Chemistry of Solids,2000,61(5):799-808. |
| APA | D. P. Ma,Y. Y. Liu,N. Ma,&J. R. Chen.(2000).Theoretical calculations of thermal shifts and thermal broadenings of sharp lines and zero-field splitting for ruby. Part I. Thermal shifts of R-1 and R-2 lines.Journal of Physics and Chemistry of Solids,61(5),799-808. |
| MLA | D. P. Ma,et al."Theoretical calculations of thermal shifts and thermal broadenings of sharp lines and zero-field splitting for ruby. Part I. Thermal shifts of R-1 and R-2 lines".Journal of Physics and Chemistry of Solids 61.5(2000):799-808. |
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