By analyzing the EPR spectrum of transition-metal ion Fe3+ in (AlO3)-O-2:Fe3+ system, the local lattice structure around impurity Fe 31 ion in the crystal has been studied by means of the diagonalization of the 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 two three-edge-pyramids elongated obviously along C-3 axis. The two distortion angles Deltatheta(1) = 1.1 - 0.1degrees, Deltatheta(2) = 1.8degrees as well as the two Fe-O bond lengths R-1 = 2.016 A, R-2 = 1.907 A are determined, respectively. (C) 2004 Elsevier Ltd. All rights reserved.
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