Comparative first-principles study of the Ni2+ absorption spectra and covalence effects in isostructural crystals NiCl2, NiBr2 and NiI2

Physica B: Condensed Matter

Volumn 387, Issue 1-2, 2007, Pages 69-76

  Brik, M G ^a  

^a KWANSEI GAKUIN UNIVERSITY   (Japan)

Author keywords

3d ions; Crystal field theory; First principles calculations; Ground state absorption

Indexed keywords

ABSORPTION SPECTROSCOPY; ANISOTROPY; ELECTRON ENERGY LEVELS; MOLECULAR STRUCTURE; NICKEL COMPOUNDS; NUMERICAL METHODS;

3D IONS; COVALENCE EFFECTS; CRYSTAL FIELD THEORY; DIRAC EQUATION; FIRST PRINCIPLES CALCULATIONS;

CRYSTALS;

EID: 33751435085     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2006.03.092     Document Type: Article

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