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Extracting structural information from low symmetry crystal field parameters-case study:Er^(3+) and Nd^(3+) ions in YAlO_3 被引量:1

Extracting structural information from low symmetry crystal field parameters-case study:Er^(3+) and Nd^(3+) ions in YAlO_3
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摘要 The experimental monoclinic CF parameter (CFP) sets obtained by Duan et al. (Phys. Rev. B 75 (2007) 195130) for Er3+ and Nd3+ ions in YAIO3 were reanalyzed. These CFPs fitted using R-approach, i.e. with the monoclinic second-rank CFP set to zero, and additionally with one six-rank CFP fixed to zero, turned out to be non-standard. In order to understand better the low symmetry aspects involved in the fitted CFPs and extract useful structtral information inherent in monoclinic CFPs, an approach comprising four methods was utilized. First, superposition model (SPM) was applied to calculate CFPs in the crystallographic axis system. Second, the principal values for the SPM determined CFPs and the orientation of the principal axis system w.r.t, the crystallographic axis system were obtained using the procedure 3DD for diagonalization of the 2rid-rank CFPs. Third, analysis of higher symmetry approximations, i.e. orthorhombic and tea'agonal, was carried out using the pseudosymmetry axes method. Fourth, the closeness factors and norm ratios were employed for quantitative comparisons of various CFP sets. Partial results for Er3+ ions in YAlO3 were presented here, whereas detailed results would be given in a follow-up paper. The experimental monoclinic CF parameter (CFP) sets obtained by Duan et al. (Phys. Rev. B 75 (2007) 195130) for Er3+ and Nd3+ ions in YAIO3 were reanalyzed. These CFPs fitted using R-approach, i.e. with the monoclinic second-rank CFP set to zero, and additionally with one six-rank CFP fixed to zero, turned out to be non-standard. In order to understand better the low symmetry aspects involved in the fitted CFPs and extract useful structtral information inherent in monoclinic CFPs, an approach comprising four methods was utilized. First, superposition model (SPM) was applied to calculate CFPs in the crystallographic axis system. Second, the principal values for the SPM determined CFPs and the orientation of the principal axis system w.r.t, the crystallographic axis system were obtained using the procedure 3DD for diagonalization of the 2rid-rank CFPs. Third, analysis of higher symmetry approximations, i.e. orthorhombic and tea'agonal, was carried out using the pseudosymmetry axes method. Fourth, the closeness factors and norm ratios were employed for quantitative comparisons of various CFP sets. Partial results for Er3+ ions in YAlO3 were presented here, whereas detailed results would be given in a follow-up paper.
机构地区 Institute of Physics
出处 《Journal of Rare Earths》 SCIE EI CAS CSCD 2009年第4期619-623,共5页 稀土学报(英文版)
基金 supported by the research grant from the Polish Ministry of Science and Tertiary Education in the years 2006-2009
关键词 Er3+ Nd3+ YAlO3 CRYSTAL-FIELD energy levels low symmetry rare earths Er3+ Nd3+ YAlO3 crystal-field energy levels low symmetry rare earths
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