Research on the defect structure and g factors for the tetragonal (CrO4)3? impurity center in ZrSiO4: Cr5+ crystal |
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Authors: | Min Cheng |
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Institution: | Department of Physics, Civil Aviation Flight University of China, Guanghan, People’s Republic of China |
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Abstract: | ABSTRACTThe EPR g factors g// and g⊥ for the tetragonal (CrO4)3? impurity center in ZrSiO4: Cr5+ crystal are studied from the high-order perturbation formulas based on the two-mechanism (the crystal field and charge-transfer mechanisms) model. The studies indicate that differing from the tetragonally-elongated host (SiO4)4- tetrahedron, the dominant defect structure of the substitutional (CrO4)3? tetrahedron is tetragonally- compressed with the ground state |dz2 due to the Jahn-Teller distortion. Furthermore, the agreement of g factors between calculation and experiment requires a small admixture of the first excited state |dx2?y2 to the ground state |dz2 due to the vibrational motion of ligands, which leads a compressed (CrO4)3? tetrahedron to become a twinkling elongated one, These results are discussed. |
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Keywords: | Defect structure g factors dynamic effect ZrSiO4 Cr5+ |
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