Li-related defects in ZnO: Hybrid functional calculations

Physica B: Condensed Matter

Volumn 404, Issue 23-24, 2009, Pages 4797-4799

  Carvalho, A ^a   Alkauskas, A ^a   Pasquarello, Alfredo ^a,b   Tagantsev, A K ^a   Setter, N ^a  

^a EPFL   (Switzerland)

^b INSTITUT ROMAND DE RECHERCHE NUMÉRIQUE EN PHYSIQUE DES MATÉRIAUX IRRMA   (Switzerland)

Author keywords

Doping; Hybrid functionals; Lithium; Theory; ZnO

Indexed keywords

ACCEPTOR LEVELS; BAND GAPS; DEFECT FORMATION ENERGIES; DENSITY FUNCTIONALS; DOPING; FORMATION ENERGIES; FUNCTIONAL CALCULATIONS; HYBRID DENSITY FUNCTIONAL CALCULATIONS; HYBRID FUNCTIONALS; LOCAL DENSITY FUNCTIONAL; N-TYPE MATERIALS; P-TYPE; TRANSITION LEVEL; ZNO;

DEFECTS; ZINC; ZINC OXIDE;

LITHIUM;

EID: 74349115434     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2009.08.165     Document Type: Article

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