Energetics, electric-field gradients and optical properties of YH3 (YD3) by first-principles calculations

Journal of Alloys and Compounds

Volumn 356-357, Issue , 2003, Pages 73-79

  Wolf, W ^a   Herzig, P ^b  

^a Materials Design sarl   (France)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

Band gap; Crystal structure; Electric field gradient; Electronic band structure; Metal hydride

Indexed keywords

BAND STRUCTURE; CRYSTAL STRUCTURE; ELECTRIC FIELD EFFECTS; PROBABILITY DENSITY FUNCTION;

ELECTRIC FIELD GRADIENT (EFG);

YTTRIUM COMPOUNDS;

EID: 0041562709     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0925-8388(03)00103-8     Document Type: Conference Paper

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