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- W2022277775 abstract "The local structures and the spin Hamiltonian parameters for the substitutional Nb(4+) centers in MO(2) (M = Sn, Ti and Ge) crystals are theoretically studied using the perturbation formulas of these parameters for a 4d(1) ion in a rhombically compressed octahedron. The above Nb(4+) centers are found to experience the Jahn-Teller distortions, characteristic of the relative axial compressions (similar to 0.01-0.02 angstrom) and the non-axial (planar) angular increases (similar to 3 degrees). As a result, the ligand octahedra are transformed from original elongation on host tetravalent cation sites to compression in the impurity centers, with additional non-axial distortions smaller than those in the hosts. The influences of the,Jahn-Teller distortions and the ligand orbital contributions are also analyzed." @default.
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- W2022277775 date "2011-01-28" @default.
- W2022277775 modified "2023-10-16" @default.
- W2022277775 title "Studies on the local structures and spin Hamiltonian parameters for the rhombic Nb4+centers in MO2(M = Sn, Ti and Ge) crystals" @default.
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- W2022277775 doi "https://doi.org/10.1051/epjap/2010100161" @default.
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