Roles of sodium induced defects in CuInSe2 by first principles calculation

Computational Materials Science

Volumn 47, Issue 1, 2009, Pages 31-34

  Sun, Xianzhong ^a   Jiang, Fangdan ^a   Feng, Jiayou ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

Bound defect; First principles calculation; Sodium induced defect; Supercell approximation

Indexed keywords

ABSORBER LAYERS; APPROXIMATION APPROACH; BOUND DEFECT; CHEMICAL BONDINGS; CONTOUR PLOT; FIRST PRINCIPLES CALCULATION; FORMATION ENERGIES; INDUCED DEFECTS; INTRINSIC DEFECTS; NEUTRAL DEFECTS; P-TYPE CONDUCTIVITY; SUPER CELL; SUPERCELL APPROXIMATION;

CHEMICAL BONDS; COPPER COMPOUNDS; DEFECTS; POINT DEFECTS;

SODIUM;

EID: 70350569836     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.06.012     Document Type: Article

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