Structural, electronic and optical properties of pure and Ni 2-doped CdI2 layered crystals as explored by ab initio and crystal field calculations

Physica B: Condensed Matter

Volumn 406, Issue 2, 2011, Pages 192-199

  Brik, M G ^a   Kityk, I V ^b   Ozga, K ^b   Slzak A ^b  

^a UNIVERSITY OF TARTU   (Estonia)

^b CZESTOCHOWA UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Approximation; Crystal and ligand fields; Density functional theory; Electron density of states and band structure of crystalline solids; Gradient and other corrections; Local density

Indexed keywords

APPROXIMATION; CRYSTAL AND LIGAND FIELDS; DENSITY FUNCTIONALS; ELECTRON DENSITY OF STATES AND BAND STRUCTURE OF CRYSTALLINE SOLIDS; GRADIENT AND OTHER CORRECTIONS; LOCAL DENSITY;

ABSORPTION; ABSORPTION SPECTROSCOPY; BAND STRUCTURE; BERYLLIUM COMPOUNDS; CARRIER CONCENTRATION; CRYSTAL LATTICES; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRON DENSITY MEASUREMENT; ELECTRONIC DENSITY OF STATES; ELECTRONS; IODINE; IONS; LIGANDS; LIGHT ABSORPTION; OPTICAL PROPERTIES; PRASEODYMIUM COMPOUNDS; SINGLE CRYSTALS; STRUCTURAL PROPERTIES;

CRYSTAL IMPURITIES;

EID: 78649493551     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.09.051     Document Type: Article

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