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- W2740967149 abstract "ABSTRACTIn this paper, the spin-Hamiltonian parameters (g factors gx, gy, gz and hyperfine structure constants A Ax, Ay, Az) and the absorption spectrum of K2CrO4 : Mn6 + crystal are theoretically explained by using the high-order perturbation theory, the double-spin-orbit-coupling model theory and the double-mechanism theory (the crystal field mechanism and the charge-transfer (CT) mechanism). The calculation results show that the contribution of the CT mechanism cannot be neglected for Mn6 + ions in orthorhombic clusters with the ground state ." @default.
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- W2740967149 date "2017-07-31" @default.
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- W2740967149 title "Theoretical explanation of spin-Hamiltonian parameters and local structure for the orthorhombic MnO<sup>2 −</sup><sub>4</sub>clusters in K<sub>2</sub>CrO<sub>4</sub>: Mn<sup>6 +</sup>crystal" @default.
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- W2740967149 doi "https://doi.org/10.1080/00268976.2017.1356476" @default.
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