N. Avram, M. G. Brik, C. Avram, M.G. Ciresan, E. Andreici
{"title":"Spin-Hamiltonian Parameters For CrLi3+ Doped In LiNbO3","authors":"N. Avram, M. G. Brik, C. Avram, M.G. Ciresan, E. Andreici","doi":"10.1515/awutp-2015-0001","DOIUrl":null,"url":null,"abstract":"Abstract By using crystal field theory, the spin-Hamiltonian parameters [zero-field splitting D, the giromagnetic factors g (g|| and g⊥) and the first excited state splitting δ(2E)] for the CrLi3+ doped in LiNbO3 have been calculated from the higher-order perturbation formulas. The method used is based on the two-spin-orbit coupling parameter model, in a cluster approach. The g parameters were also calculated as a second derivative of the energy, method implemented into ORCA computer program. The results were discussed and good agreement with experimental data was demonstrated.","PeriodicalId":31012,"journal":{"name":"Annals of West University of Timisoara Physics","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2012-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Annals of West University of Timisoara Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1515/awutp-2015-0001","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
Abstract By using crystal field theory, the spin-Hamiltonian parameters [zero-field splitting D, the giromagnetic factors g (g|| and g⊥) and the first excited state splitting δ(2E)] for the CrLi3+ doped in LiNbO3 have been calculated from the higher-order perturbation formulas. The method used is based on the two-spin-orbit coupling parameter model, in a cluster approach. The g parameters were also calculated as a second derivative of the energy, method implemented into ORCA computer program. The results were discussed and good agreement with experimental data was demonstrated.
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