First-principles study of the effect of heavy Ni doping on the electronic structure and absorption spectrum of wurtzite ZnO

Physica B: Condensed Matter

Volumn 407, Issue 13, 2012, Pages 2359-2364

  Liu, Y ^a   Hou, Q Y ^a   Xu, H P ^a   Li, L M ^a   Zhang, Y ^b  

^a INNER MONGOLIA UNIVERSITY OF TECHNOLOGY   (China)

^b BEIHANG UNIVERSITY   (China)

Author keywords

Absorption spectrum; Electronic structure; First principles; Heavy Ni doping; Wurtzite ZnO

Indexed keywords

DENSITIES OF STATE; DOPING CONCENTRATION; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; LOW ENERGY REGIONS; NI-DOPED; NI-DOPING; OPTICAL ABSORPTION EDGE; PLANE WAVE; PURE ZNO; RED SHIFT; SUPER CELL; ULTRASOFT PSEUDOPOTENTIALS; WURTZITES; ZNO;

ABSORPTION SPECTRA; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; ZINC; ZINC SULFIDE;

ZINC OXIDE;

EID: 84860380033     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2012.02.030     Document Type: Article

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