Defects energetics and electronic properties of Li doped ZnO: A hybrid hartree-fock and density functional study

Chinese Journal of Chemical Physics

Volumn 25, Issue 3, 2012, Pages 261-268

  Sun, Xu ^a   Gu, You Song ^a   Wang, Xue Qiang ^a   Zhang, Yue ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

Author keywords

Hybrid density functional; Li doped ZnO; Multi defects

Indexed keywords

ANNEALING; BINARY ALLOYS; CALCULATIONS; DEFECTS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; II-VI SEMICONDUCTORS; MOLECULAR PHYSICS; OXIDE MINERALS; ZINC OXIDE;

DEFECT FORMATION ENERGIES; DENSITY-FUNCTIONAL METHODS; DENSITY-FUNCTIONAL STUDY; ENVIRONMENT CHANGE; FORMATION ENERGIES; HYBRID DENSITY FUNCTIONAL; LI-DOPED ZNO; OXYGEN-RICH ATMOSPHERES;

LITHIUM COMPOUNDS;

EID: 84864403630     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-0068/25/03/261-268     Document Type: Article

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