Comparative first-principles study of th
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M.G. Brik
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Article
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2007
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Elsevier Science
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English
โ 445 KB
Systematic ab initio calculations of the ground-state absorption spectra and covalence effects in three isostructural anisotropic crystals with layered structure (NiCl 2 , NiBr 2 and NiI 2 ) are presented. The recently developed first-principles approach to the analysis of the absorption spectra bas