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>Superposition model analysis of the cubic spinhyphen;Hamiltonian parameters for Mn2+and Fe3+in the alkaline earth oxides, fluoroperovskite, and IIndash;VI compounds
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Superposition model analysis of the cubic spinhyphen;Hamiltonian parameters for Mn2+and Fe3+in the alkaline earth oxides, fluoroperovskite, and IIndash;VI compounds
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机译：Superposition model analysis of the cubic spinhyphen;Hamiltonian parameters for Mn2+and Fe3+in the alkaline earth oxides, fluoroperovskite, and IIndash;VI compounds
An analysis, in terms of Newman’s superposition model, of the cubic spin–Hamiltonian parameters for divalent manganese and trivalent iron in fluoroperovskite and II–VI compounds is presented. Values for the intrinsic parameter ?4and for the power‐law exponentt4of Mn2+with F−, S2−, Se2−, and Te2−ligands are reported for the first time. In addition, values are obtained for ?4of Fe3+surrounded by sulfur, selenium, and tellurium as ligands. Also, a re‐evaluation of the previously reported power‐law exponentt4is made for Mn2+with oxygen ligands, taking into account the local distortion around the impurity ion. Using the superposition model, the interaction distances between the Mn2+–F−and the Fe3+–F−pairs in the fluoroperovskite compounds KMgF3, KZnF3, KCaF3, RbCdF3, RbCaF3, and TlCdF3are determined. This allowed us to make theoretical calculations of the value for the transferred hyperfine parametersAsandApfor both Mn2+and Fe3+in these compounds. A close relationship between the value of the intrinsic parameter ?4with the ligand polarizability and the covalency of the bond as well, is proposed for Mn2+and Fe3+with F−, O2−, Cl−, S2−, Se2−, and Te2−as ligands.
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