Theoretical investigation of charge accumulation layer on the Bi-induced InAs(111)-(2 x 2) surface

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dc.contributor.authorÖzkaya, Sibel
dc.contributor.authorUsanmaz, Demet
dc.contributor.authorÇakmak, Mehmet
dc.contributor.authorAlkan, Bora.
dc.contributor.authorElli?altıo?lu, Şinasi
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T09:19:28Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T09:19:28Z
dc.date.issued2014
dc.departmentFen-Edebiyat Fakültesi
dc.description.abstractBased on pseudopotential method and density functional theory, we have investigated the stability, atomic geometry, and detailed electronic structures for Bi adsorbates on the InAs(111)-(2 x 2) surface with three different sites: (i) T-4 (Bi trimer centered on T-4 site), (ii) H-3 (Bi trimer centered on H-3 site), and (iii) T-4-H-3 (which is formed by trimers with opposite orientations: one centered on a T-4 site and the other on a H-3). Our total energy calculations suggest that adsorption on the T-4-H-3 site is the energetically most stable structure among the proposed structures. The electronic band structure calculations reveal the existence of an accumulation layer between InAs(111) surface and Bi adatoms for T-4-H-3. Charge density difference results indicate significant amount of the charge accumulation on the Bi/InAs interface.
dc.description.sponsorshipMinistry of Development of TR [2011K120290]
dc.description.sponsorshipThis work was supported by the Ministry of Development of TR under Project No: 2011K120290.
dc.identifier.doi10.1063/1.4872248
dc.identifier.issn0021-8979
dc.identifier.issn1089-7550
dc.identifier.issue16en_US
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1063/1.4872248
dc.identifier.urihttps://hdl.handle.net/20.500.12451/4996
dc.identifier.volume115en_US
dc.identifier.wosWOS:000335228400032
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherAmerican Institute Physics
dc.relation.ispartofJOURNAL OF APPLIED PHYSICS
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.titleTheoretical investigation of charge accumulation layer on the Bi-induced InAs(111)-(2 x 2) surface
dc.typeArticle

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