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题名: Investigations of the optical spectra and EPR g factors for the tetragonal Cu(2+) centers in trigonal ZnCO(3) crystal
作者: Y. Wei-Qing;  Z. Wen-Chen;  H. Lv;  L. Hong-Gang
发表日期: 2010
摘要: Two distinctive theoretical methods, the complete diagonalization (of energy matrix) method (CDM) and the perturbation theory method (PTM), are employed to calculate the optical band positions and EPR g factors g(parallel to), g(perpendicular to) for the tetragonal Cu(2+) centers in trigonal ZnCO(3) crystal. The results from the two methods coincide and are also in good agreement with the experimental values. So both the CDM and PTM are adequate for the investigations of optical and EPR data for d(9) ions in crystals. The tetragonal distortion due to the static Jahn-Teller effect for the tetragonal Cu(2+). centers in trigonal Zn(2+) site of ZnCO(3) is also acquired from the calculations. The results are discussed. (C) 2009 Elsevier B.V. All rights reserved.
KOS主题词: Ultraviolet spectra;  Infrared spectra;  defect;  Structure;  Crystal field theory;  Parameters;  Resonance;  Calcite;  Field;  Ions
刊名: Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
相关网址: <Go to ISI>://WOS:000274773700070
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Recommended Citation:
Y. Wei-Qing,Z. Wen-Chen,H. Lv,et al. Investigations Of The Optical Spectra And Epr G Factors For The Tetragonal Cu(2+) Centers In Trigonal Znco(3) Crystal[J]. Spectrochimica Acta Part A-molecular And Biomolecular Spectroscopy,2010,75(1):458-460.

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