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Theoretical studies of the optical and EPR spectra for Fe(3+) ion in the MF(3):Fe(3+) (M = Al, Ga) systems

文献类型:期刊论文

作者J. F. Li ; X. Y. Kuang ; A. J. Mao
刊名Journal of Luminescence
出版日期2010
卷号130期号:3页码:451-454
关键词MF(3):Fe(3+) (M = Al Ga) system Local lattice structure distortion EPR spectrum Ligand-fields theory electron-paramagnetic-resonance fluoride glasses field fe-3+
ISSN号0022-2313
中文摘要By analyzing the EPR spectra of Fe(3+) ion in the fluorinde glasses, the local lattice structures around impurity Fe(3+) ion in MF(3):Fe(3+) (M = Al, Ga) systems have been studied by means of diagonalizing the complete energy matrices of the electron-electron repulsion, the ligand-field and the spin-orbit coupling for a d(5) configuration ion in a trigonal ligand-field. Both the second-order and fourth-order EPR parameters D and (a-F) are taken simultaneously in the structural investigation. The results indicate that the local lattice structure around octahedral Fe(3+) center has an expansion distortion for Fe(3+) in MF(3):Fe(3+) (M = Al, Ga). The expansion distortion may be ascribed to the fact that the radius of Fe(3+) ion is larger than that of Al(3+) ion and Ga(3+) ion, and the Fe(3+) ion will push the fluoride ligands upwards and downwards, respectively. The local lattice structure parameters R = 1.927 A, theta = 55.538 degrees for Fe(3+) in AlF(3):Fe(3+) and R=1.931 A, theta = 56.09 degrees for Fe(3+) in GaF(3):Fe(3+) are determined, respectively, and the EPR spectra of the MF(3):Fe(3+) (M = Al, Ga) systems are satisfactorily explained. (C) 2009 Elsevier B.V. All rights reserved.
原文出处://WOS:000273914900019
公开日期2012-04-13
源URL[http://210.72.142.130/handle/321006/31218]  
专题金属研究所_中国科学院金属研究所
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J. F. Li,X. Y. Kuang,A. J. Mao. Theoretical studies of the optical and EPR spectra for Fe(3+) ion in the MF(3):Fe(3+) (M = Al, Ga) systems[J]. Journal of Luminescence,2010,130(3):451-454.
APA J. F. Li,X. Y. Kuang,&A. J. Mao.(2010).Theoretical studies of the optical and EPR spectra for Fe(3+) ion in the MF(3):Fe(3+) (M = Al, Ga) systems.Journal of Luminescence,130(3),451-454.
MLA J. F. Li,et al."Theoretical studies of the optical and EPR spectra for Fe(3+) ion in the MF(3):Fe(3+) (M = Al, Ga) systems".Journal of Luminescence 130.3(2010):451-454.

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来源:金属研究所

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