Hybrid functional study of structural, electronic and magnetic properties of S-doped ZnO with and without neutral vacancy

Journal of Alloys and Compounds

Volumn 578, Issue , 2013, Pages 602-608

  Debbichi, M ^a   Sakhraoui, T ^a   Debbichi, L ^b   Said, M ^a  

^a FACULTÉ DES SCIENCES DE MONASTIR   (Tunisia)

^b UNIVERSITÉ DE BOURGOGNE   (France)

Author keywords

DFT; Electronic and magnetic structure; Hybrid functional

Indexed keywords

ATOMS; ELECTRONIC PROPERTIES; ENERGY GAP; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MAGNETISM; ZINC; ZINC OXIDE;

APICAL POSITIONS; CATION VACANCIES; ELECTRONIC AND MAGNETIC PROPERTIES; EMPIRICAL PSEUDOPOTENTIAL METHOD; HYBRID FUNCTIONAL; MAGNETIC ANALYSIS; MIXING COEFFICIENT; STRUCTURAL AND ELECTRONIC PROPERTIES; DFT;

DENSITY FUNCTIONAL THEORY;

EID: 84884374231     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2013.06.121     Document Type: Article

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