Electronic structures and formation energies of pentavalent-ion-doped SnO2: First-principles hybrid functional calculations

Journal of Applied Physics

Volumn 117, Issue 17, 2015, Pages

  Behtash, Maziar ^a   Joo, Paul H ^a   Nazir, Safdar ^a   Yang, Kesong ^a  

^a UNIVERSITY OF CALIFORNIA SAN DIEGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIMONY COMPOUNDS; CALCULATIONS; CONDUCTION BANDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; NIOBIUM COMPOUNDS; OPTICAL BAND GAPS; PHOSPHORUS; TANTALUM COMPOUNDS; THERMODYNAMIC STABILITY; TRANSPARENT CONDUCTING OXIDES;

EXPERIMENTAL VALIDATIONS; FIRST PRINCIPLES; FORMATION ENERGIES; HYBRID DENSITY FUNCTIONAL THEORY; HYBRID FUNCTIONAL; LOCALIZED IMPURITY; N-TYPE CONDUCTIVITY; UNDOPED SYSTEMS;

DENSITY FUNCTIONAL THEORY;

EID: 84928902773     PISSN: 00218979     EISSN: 10897550     Source Type: Journal    
DOI: 10.1063/1.4919422     Document Type: Article

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