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- W2049062016 abstract "The spin-Hamiltonian parameters (g factors g‖, g⊥ and hyper ne structure constants A‖(A), A⊥(A), A‖(B) and A⊥(B), A(A) and A(B) belonging to isotopes Mo and Mo) of Mo ion at the tetragonally-compressed tetrahedral W site in CaWO4 crystal are calculated from the high-order perturbation formulae based on the two-mechanism model, where besides the contributions to spin-Hamiltonian parameters due to the crystaleld mechanism concerning the crystaleld excited states in the extensively-applied crystaleld theory, those due to charge-transfer mechanism concerning charge-transfer excited states (which are omitted in crystaleld theory) are included. The calculated results are in reasonable agreement with the experimental values. The calculations show that for the high-valence state d ions (e. g., Mo considered) in crystals, the contributions due to charge-transfer mechanism should be taken into account in the studies of spin-Hamiltonian parameters. The local structure of Mo center in CaWO4 crystal due to the impurity-induced local lattice relaxation is estimated from the calculations. The results are discussed." @default.
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- W2049062016 date "2014-12-01" @default.
- W2049062016 modified "2023-09-24" @default.
- W2049062016 title "Research on the Spin-Hamiltonian Parameters and Local Structure for the Tetragonal Mo5+Centers in CaWO4Crystal" @default.
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- W2049062016 doi "https://doi.org/10.12693/aphyspola.126.1275" @default.
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