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Effects of external electric field on the optical and electronic properties of blue phosphorene nanoribbons: A DFT study

dc.creatorOspina D.A.spa
dc.creatorDuque C.A.spa
dc.creatorMora-Ramos M.E.spa
dc.creatorCorrea J.D.spa
dc.date.accessioned2017-12-19T19:36:43Z
dc.date.available2017-12-19T19:36:43Z
dc.date.created2017
dc.identifier.issn9270256
dc.identifier.urihttp://hdl.handle.net/11407/4274
dc.description.abstractUsing first principles calculations we investigate the effect of external electric fields in the optical and electronic properties of blue-phosphorene nanoribbons. It is shown that the application of a static external electric field serves as a tool for controlling the band gap of blue-phosphorene nanoribbons. Accordingly, the system will show a transition from semiconductor to metal, depending on the intensity of the applied electric field and the width of the nanoribbon. Our results for the imaginary part of the dielectric function suggest that the optical properties of the blue-phosphorene nanoribbons can be modulated through of the electric field as well. © 2017 Elsevier B.V.eng
dc.language.isoeng
dc.publisherElsevier B.V.spa
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85017564283&doi=10.1016%2fj.commatsci.2017.03.048&partnerID=40&md5=afadd141c7c2adf51634b63d1727703bspa
dc.sourceScopusspa
dc.titleEffects of external electric field on the optical and electronic properties of blue phosphorene nanoribbons: A DFT studyspa
dc.typeArticleeng
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.contributor.affiliationOspina, D.A., Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín, Colombiaspa
dc.contributor.affiliationDuque, C.A., Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín, Colombiaspa
dc.contributor.affiliationMora-Ramos, M.E., Centro de Investigación en Ciencias-IICBA, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Cuernavaca, CP Morelos, Mexicospa
dc.contributor.affiliationCorrea, J.D., Departamento de Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, Colombiaspa
dc.identifier.doi10.1016/j.commatsci.2017.03.048
dc.subject.keywordDFTeng
dc.subject.keywordNanoribbonseng
dc.subject.keywordOpticaleng
dc.subject.keywordPhosphoreneeng
dc.subject.keywordCalculationseng
dc.subject.keywordElectric fieldseng
dc.subject.keywordElectronic propertieseng
dc.subject.keywordEnergy gapeng
dc.subject.keywordNanoribbonseng
dc.subject.keywordDFT studyeng
dc.subject.keywordDielectric functionseng
dc.subject.keywordExternal electric fieldeng
dc.subject.keywordFirst-principles calculationeng
dc.subject.keywordImaginary partseng
dc.subject.keywordOpticaleng
dc.subject.keywordOptical and electronic propertieseng
dc.subject.keywordPhosphoreneeng
dc.subject.keywordOptical propertieseng
dc.publisher.facultyFacultad de Ciencias Básicasspa
dc.abstractUsing first principles calculations we investigate the effect of external electric fields in the optical and electronic properties of blue-phosphorene nanoribbons. It is shown that the application of a static external electric field serves as a tool for controlling the band gap of blue-phosphorene nanoribbons. Accordingly, the system will show a transition from semiconductor to metal, depending on the intensity of the applied electric field and the width of the nanoribbon. Our results for the imaginary part of the dielectric function suggest that the optical properties of the blue-phosphorene nanoribbons can be modulated through of the electric field as well. © 2017 Elsevier B.V.eng
dc.creator.affiliationGrupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín, Colombiaspa
dc.creator.affiliationCentro de Investigación en Ciencias-IICBA, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Cuernavaca, CP Morelos, Mexicospa
dc.creator.affiliationDepartamento de Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, Colombiaspa
dc.relation.ispartofesComputational Materials Sciencespa
dc.relation.ispartofesComputational Materials Science Volume 135, 1 July 2017, Pages 43-53spa
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dc.type.versioninfo:eu-repo/semantics/publishedVersion
dc.type.driverinfo:eu-repo/semantics/article
dc.identifier.reponamereponame:Repositorio Institucional Universidad de Medellínspa
dc.identifier.instnameinstname:Universidad de Medellínspa


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