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《Acta Optica Sinica》 2014-05
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Reserach on Fine Structure of Ground-State Energy Levels and the Jahn-Teller Effect of Fe_2P_2S_6 Crystal

Yin Chunhao;Xu Zhenkun;Wu Caiping;Zhang Lei;Jiao Yang;Liu Haishun;Li Fuqiang;College of Sciences,China University of Mining and Technology;  
The complete Hamilto matrices of trigonal symmetry 3d4/3d6 electron configuration are derived using Racah′s irreducible tensor operator method in the weak field scheme.The ground-state energy levels and crystal structure of the Fe2+in Fe2P2S6crystal are studied and the ground-state energy levels and the zero-field splitting of electron paramagnetic resonance of Fe2P2S6crystal are calculated considering the effects of spin-orbit coupling and spinspin coupling in ground-state energy levels.The calculated results are in good agreement with the experimental values.Moreover,the effects of spit-orbit coupling,spin-spin coupling and low-spin states 3L on the ground-state energy levels and zero-field splitting are investigated further based on the calculated results and the Jahn-Teller effect of Fe2P2S6 crystal is studied as well.
【Fund】: 国家973计划(2010CB226805);; 国家自然科学基金(51074155)
【CateGory Index】: O76;O614.811
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