Yang Ziyuan. Theoretical Studies of the Full Configuration EPR Parameters for a 4A2(3d3) State Ion in Trigonal Crystal Field[J]. Chinese Journal of Chemical Physics , 2000, 13(2): 190-196. doi: 10.1088/1674-0068/13/2/190-196
Citation: Yang Ziyuan. Theoretical Studies of the Full Configuration EPR Parameters for a 4A2(3d3) State Ion in Trigonal Crystal Field[J]. Chinese Journal of Chemical Physics , 2000, 13(2): 190-196. doi: 10.1088/1674-0068/13/2/190-196

Theoretical Studies of the Full Configuration EPR Parameters for a 4A2(3d3) State Ion in Trigonal Crystal Field

doi: 10.1088/1674-0068/13/2/190-196
  • Received Date: 1999-04-14
  • The EPR theory of the full configuration has been established for a 4A2(3d3) state ion in the intermediate crystal field scheme. The EPR parameters are investigated in detail as functions of the cubic Dq and the trigonal crystal parameters V and V', the analytical perturbation expressions for the ZFS parameters D and Zeeman g factor are examined based on simultaneous diagonalization and find that Macfarlane's expressions work well indeed. The microcosmic origin of the EPR parameters have been studied, and indicates that the contribution of the spin doublets for the ZFS parameter D is very important, and for the ground state g factor it can be omitted.
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Theoretical Studies of the Full Configuration EPR Parameters for a 4A2(3d3) State Ion in Trigonal Crystal Field

doi: 10.1088/1674-0068/13/2/190-196

Abstract: The EPR theory of the full configuration has been established for a 4A2(3d3) state ion in the intermediate crystal field scheme. The EPR parameters are investigated in detail as functions of the cubic Dq and the trigonal crystal parameters V and V', the analytical perturbation expressions for the ZFS parameters D and Zeeman g factor are examined based on simultaneous diagonalization and find that Macfarlane's expressions work well indeed. The microcosmic origin of the EPR parameters have been studied, and indicates that the contribution of the spin doublets for the ZFS parameter D is very important, and for the ground state g factor it can be omitted.

Yang Ziyuan. Theoretical Studies of the Full Configuration EPR Parameters for a 4A2(3d3) State Ion in Trigonal Crystal Field[J]. Chinese Journal of Chemical Physics , 2000, 13(2): 190-196. doi: 10.1088/1674-0068/13/2/190-196
Citation: Yang Ziyuan. Theoretical Studies of the Full Configuration EPR Parameters for a 4A2(3d3) State Ion in Trigonal Crystal Field[J]. Chinese Journal of Chemical Physics , 2000, 13(2): 190-196. doi: 10.1088/1674-0068/13/2/190-196

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