Abstract
AbstractIn layered structures the anion position has low local symmetry. The result are induced anion dipoles which strongly interact with each other and with all the remaining crystalline matrix. Two different approaches are examined to take account of the anion polarization energy in layered structures. The lattice energy is calculated with regard to the anion polarization term for some halides of bivalent metals (Mg, Ca, Cd, Mn, Pb). The polarization correction to lattice energy is found to be large, 3 to 4 eV. Impurity dissolution energies are recalculated for those cases where the pure impurity component forms a layered structure: their values are found to be positive and correct in order of magnitude.
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