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• W2039968405 abstract "In this paper, the high-order perturbation formulas based on the two spin-orbit coupling parameter model for the EPR g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to) of 3d(9) ion in tetragonal tetrahedral crystals are established by a molecular orbital approach. In these formulas, the contributions to EPR parameters from both the spin-orbit coupling parameter of central 3d9 ion and that of ligands are included. By use of these formulas, the EPR parameters Delta g(parallel to)(= g(s) - g(parallel to)), Delta g(perpendicular to)( = g(s) - g(perpendicular to)), A(parallel to) and A(perpendicular to) for Ni+ in AgGaS2 and AgGaSe2 crystals are calculated. The calculated results show good agreement with the observed values. The importance of the contribution from the spin-orbit coupling of ligands to various EPR parameters is discussed. (C) 1999 Elsevier Science B.V. All rights reserved." @default.
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• W2039968405 date "1999-09-01" @default.
• W2039968405 modified "2023-09-28" @default.
• W2039968405 title "Theoretical studies of the g factors and hyperfine structure constants for Ni+ in AgGaS2 and AgGaSe2 crystals" @default.
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• W2039968405 doi "https://doi.org/10.1016/s0921-4526(99)00143-x" @default.
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