Atomic and electronic structures of doped silicon nanowires: A first-principles study

buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860en_US
dc.citation.epage245323-8en_US
dc.citation.issueNumber24en_US
dc.citation.spage245323-1en_US
dc.citation.volumeNumber76en_US
dc.contributor.authorDurgun, Enginen_US
dc.contributor.authorAkman, N.en_US
dc.contributor.authorAtaca, C.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.contributor.bilkentauthorÇıracı, Salim
dc.contributor.bilkentauthorDurgun, Engin
dc.date.accessioned2016-02-08T10:10:56Z
dc.date.available2016-02-08T10:10:56Z
dc.date.issued2007en_US
dc.departmentDepartment of Physicsen_US
dc.departmentInstitute of Materials Science and Nanotechnology (UNAM)en_US
dc.departmentDepartment of Electrical and Electronics Engineeringen_US
dc.description.abstractWe have investigated the atomic and electronic structures of hydrogen saturated silicon nanowires doped with impurity atoms (such as Al, Ga, C, Si, Ge, N, P, As, Te, Pt) using a first-principles plane wave method. We considered adsorption and substitution of impurity atoms at the surface and also their substitution at the core of the nanowire. In the case of adsorption to the surface, we determined the most energetic adsorption geometry among various possible adsorption sites. All impurities studied lead to nonmagnetic ground state with a significant binding energy. Impurity bands formed at high impurity concentration are metallic for group IIIA and VA elements but are semiconductor and modify the band gap for group IVA and VIA elements. While low substitutional impurity concentration leads to usual n - and p -type behaviors reminiscent of bulk Si, this behavior is absent if the impurity atom is adsorbed on the surface. It is shown that the electronic properties of silicon nanowires can be modified by doping for optoelectronic applications.en_US
dc.identifier.doi10.1103/PhysRevB.76.245323en_US
dc.identifier.issn1098-0121
dc.identifier.urihttp://hdl.handle.net/11693/23255
dc.language.isoEnglishen_US
dc.relation.isversionofhttp://dx.doi.org/10.1103/PhysRevB.76.245323en_US
dc.source.titlePhysical Review B - Condensed Matter and Materials Physicsen_US
dc.titleAtomic and electronic structures of doped silicon nanowires: A first-principles studyen_US
dc.typeArticleen_US
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