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SS and SOO Mechanisms of the EPR Parameters for 4 A2(3d3 ) State Ion in Trigonal Symmetry Crystal Field
Yang Ziyuan*,Wei Qun
Author NameAffiliationE-mail
Yang Ziyuan* Microelectronics InstituteXidian UniversityXi'an 710071Department of PhysicsBaoji University of Arts and ScienceBaoji 721007 yziyuan@tom.com 
Wei Qun Department of PhysicsBaoji University of Arts and ScienceBaoji 721007  
Abstract:
A CDM/ EPR program has been developed using Visual Basic 6. 0. The spin-spin(SS)and spin-otherorbit(SOO)interactions omitted in published works have also been included in the Hamiltonian. The CDM/EPR program can study not only the EPR parameters but also the CF energy levels and wavefunctions for 4A2 (3d3)states ions in crystals. Utilizing the CDM/ EPR program,the EPR parameters and fine spectra for Ruby and Emerald have been investigated. The theoretical results are in good agreement with the experimental findings. The contributions to the EPR parameters and fine spectra arising from SS and SOO interactions have been studied. The investigation shows:① The EPR parameters are mainly induced by SO coupling interaction;② The contribution to the zerofield-splitting(ZFS)arising from SS interaction is appreciable and cannot be omitted,whereas the contributions to the ZFS parameter D arising from SOO interaction are smaller;③ The contribution to the Zeeman g-factors and spectra arising from SS and SOO interactions is slight.
Key words:  EPR parameter,Spin-spin interaction,Spin-other-orbit interaction,Ruby,Emerald
FundProject:
三角对称晶场中4A2(3d3)态离子EPR参量的SS和SOO机制
杨子元*,魏群
摘要:
考虑了在以前工作中被忽略的自旋与自旋(Spin-spin(SS))磁相互作用以及一个电子自旋与另外电子轨道(Spin-other-orbit (SOO))之间的磁相互作用,用Visual Basic6.0设计了新的CDM/EPR计算程序.该程序不仅能计算 4A2(3d3)态离子在晶体中的EPR参量,而且能计算体系的光谱精细结构.利用该程序研究了红宝石晶体与绿宝石晶体的EPR参量与光谱精细结构,理论与实验符合甚好.在此基础上,研究了SS与SOO磁相互作用对EPR参量及其光谱的贡献.发现在磁相互作用的三个部分
关键词:  EPR参量  SS磁相互作用  SOO磁相互作用  红宝石  绿宝石
DOI:10.1088/1674-0068/17/4/401-406
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