Chinese Journal of Magnetic Resonance

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THEORETICAL EXPLANATION OF THE ANISOTROPIC FACTORS OF Co2+ ION IN RHOMBIC MgF2 AND ZnF2 CRYSTALS

DONG Hui-ning1,2, WU Shao-yi2,3, ZHENG Wen-chen2,3
  

  1. 1.Institute of Solid State Physics, Sichuan Normal University, Chengdu 610066, China;
    2.Department of Material Science, Sichuan University, Chengdu 610064, China;
    3.International Centre for Materials Physics, The Chinese Academy of Sciences, S henyang 110016, China
  • Received:2002-02-25 Revised:2002-04-28 Published:2002-09-05 Online:2002-09-05

Abstract:

The perturbation formulas based on a cluster approach are presented in this pa per for the calculation of anisotropic g factors gx, gy and gz for 3d7Co2+ ion in rhombic octahedral site. In these formulas, the contributions from covalenc y effects, configuration interaction and rhombic crystal field are considered an d the parameters related to the three contributions can be determined from the o ptical spectra and the structural data of the studied crystals. From these formu las, the EPR parameters gx, gy and gz for Co2+ in rhombic MgF2 and  ZnF2 crystals are calculated. The results are in agreement with the   experimental values.

Key words: EPR, crystal- and ligand-field theory, Co2+, MgF2, ZnF2

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