The self-consistent band structure of the layer crystals NiCl2, CoCl2, FeCl2, and MnCl2 has been calculated by the intersecting-spheres model, using both the Slater and the Gáspár-Kohn-Sham approximation of the exchange potential. The results of these calculations, when compared with the experimental data and with previous results obtained for MgCl2, provide a rough and qualitative but reasonable interpretation of the various x-ray and optical spectra of these materials.
Study of the electronic structure of NiCl2, CoCl2, FeCl2, and MnCl2 by the intersecting-spheres model
MIHICH, LUIGI
1980-01-01
Abstract
The self-consistent band structure of the layer crystals NiCl2, CoCl2, FeCl2, and MnCl2 has been calculated by the intersecting-spheres model, using both the Slater and the Gáspár-Kohn-Sham approximation of the exchange potential. The results of these calculations, when compared with the experimental data and with previous results obtained for MgCl2, provide a rough and qualitative but reasonable interpretation of the various x-ray and optical spectra of these materials.File in questo prodotto:
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