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Comparative crystal field study of Ni2+ energy levels in NiCl2, NiBr2, and NiI2 crystals

โœ Scribed by M.G. Brik; N.M. Avram; C.N. Avram


Book ID
108238917
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
362 KB
Volume
371
Category
Article
ISSN
0921-4526

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Comparative first-principles study of th
โœ M.G. Brik ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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