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- W4317107820 abstract "Abstract The spin-Hamiltonian parameters ( g factors g // , g ⊥ and hyperfine structure constants 47 A i , 49 A i , where i = // or ⊥, 47 A i and 49 A i denote the values of isotopes 47 Ti 3+ and 49 Ti 3+ ) of the Ti 3+ ions at the tetrahedral Si 4+ sites in ZrSiO 4 crystal are computed from the high-order perturbation formulas based on the cluster approach where the contributions due to both the d orbitals of central d n ion and p orbitals of ligand ion are considered. The calculated results are reasonably coincident with the experimental values. The defect structure of (TiO 4 ) 5− impurity cluster which differs from the replaced host (SiO 4 ) 4− cluster in ZrSiO 4 is evaluated in the calculation. The results are discussed." @default.
- W4317107820 created "2023-01-18" @default.
- W4317107820 creator A5001481597 @default.
- W4317107820 date "2023-01-18" @default.
- W4317107820 modified "2023-10-18" @default.
- W4317107820 title "Investigations of the spin-Hamiltonian parameters and defect structure for the (TiO 4 ) 5− tetrahedral clusters in ZrSiO 4 : Ti 3+ crystal" @default.
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- W4317107820 doi "https://doi.org/10.21203/rs.3.rs-2472864/v1" @default.
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