Boron and nitrogen impurities in SiC nanowires

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorOliveira, I. S. Santos de-
Autor(es): dc.creatorMiwa, R. H.-
Data de aceite: dc.date.accessioned2026-02-09T12:13:37Z-
Data de disponibilização: dc.date.available2026-02-09T12:13:37Z-
Data de envio: dc.date.issued2019-12-09-
Data de envio: dc.date.issued2019-12-09-
Data de envio: dc.date.issued2009-02-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/38101-
Fonte completa do material: dc.identifierhttps://journals.aps.org/prb/abstract/10.1103/PhysRevB.79.085427-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1157013-
Descrição: dc.descriptionWe have performed a theoretical ab initio study of the B and N impurities in hydrogen-passivated SiC nanowires (NWs). The calculations were performed within the density-functional theory, and using norm-conserving pseudopotentials to describe the electron-ion interactions. We have considered SiC nanowires growth along the [100] and [111] directions. For B-doped SiC NWs, our results indicate that the atomic relaxations around the impurity site play an important role to the energetic preference of B atoms occupying the Si sites ( B Si ) at the NW surface. The formation of B C becomes energetically more favorable than B Si only at the Si-rich condition. On the other hand, even at the Si-poor condition, the formation of N Si is not expected to occur, N C being the energetically more favorable configuration. In particular for the C-coated SiC NW growth along the [100] direction and the SiC NW growth along the [111] direction, the N C atoms are energetically more stable at the inner sites of the NWs. Thus, indicating that in those systems the N C atoms do not segregate toward the NW surface.-
Idioma: dc.languageen-
Publicador: dc.publisherAmerican Physical Society-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourcePhysical Review B, Condensed Matter and Materials Physics-
Título: dc.titleBoron and nitrogen impurities in SiC nanowires-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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