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- W2092115246 abstract "By using the distortion model that the tetragonal site symmetry of Cr5+ in cubic phase of SrTiO3 originates from the static Jahn–Teller effect, the spin-Hamiltonian parameters (g factors g||, g⊥ and hyperfine structure constants A||, A⊥) of this tetragonally compressed Cr5+ center in SrTiO3 are calculated from the high-order perturbation formulas based on a two-mechanism model. In the model, not only the contribution to spin-Hamiltonian parameters due to the crystal-field mechanism, but also that due to the charge-transfer mechanism (which is omitted in the extensively used crystal-field theory) are included. The calculated results are in reasonable agreement with the experimental values. The tetragonal compression (characterized by ΔR=R⊥−R||, where R⊥ and R|| denote the metal–ligand distances perpendicular to and parallel with the C4 axis) of Cr5+ center is also obtained from the calculation. The results (including the tetragonal compression and the relative importance of the charge-transfer mechanism) are discussed." @default.
- W2092115246 created "2016-06-24" @default.
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- W2092115246 date "2010-12-01" @default.
- W2092115246 modified "2023-10-01" @default.
- W2092115246 title "Investigations of the spin-Hamiltonian parameters and tetragonal compression due to the static Jahn–Teller effect for Cr5+ center in cubic SrTiO3 crystal" @default.
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- W2092115246 doi "https://doi.org/10.1016/j.physb.2010.09.024" @default.
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