Ab Initio Study of Structural, Electronic, and Hyperfine Properties of n-type SnO2:Ta Semiconductor

A detailed theoretical first-principles study of structural, electronic, and hyperfine properties at Sn and Ta sites of undoped and Ta-doped rutile SnO2 is presented, using the Full-Potential Augmented Plane Wave plus local orbitals (FP-APW+lo) method. In the Ta-doped systems, we performed calculati...

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Detalles Bibliográficos
Autores principales: Darriba, Germán Nicolás, Muñoz, Emiliano Luis, Errico, Leonardo Antonio, Rentería, Mario
Formato: Articulo
Lenguaje:Inglés
Publicado: 2014
Materias:
Física
EFG
Ab initio
Electronic structure
Hyperfine interactions
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/102455
https://ri.conicet.gov.ar/11336/33419
http://pubs.acs.org/doi/10.1021/jp5048369
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata

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