Boron doping in gallium oxide from first principles

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorLehtomäki, Joukoen_US
dc.contributor.authorLi, Jingruien_US
dc.contributor.authorRinke, Patricken_US
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.groupauthorComputational Electronic Structure Theoryen
dc.date.accessioned2020-12-31T08:42:02Z
dc.date.available2020-12-31T08:42:02Z
dc.date.issued2020-12en_US
dc.description.abstractWe study the feasibility of boron doping in gallium oxide (Ga2O3) for neutron detection. Ga2O3 is a wide band gap, radiation-hard material with potential for neutron detection, if it can be doped with a neutron active element. We investigate the boron-10 isotope as possible neutron active dopant. Intrinsic and boron induced defects in Ga2O3 are studied with semi-local and hybrid density-functional-theory calculations. We find that it is possible to introduce boron into gallium sites at moderate concentrations. High concentrations of boron, however, compete with the boron-oxide formation.en
dc.description.versionPeer revieweden
dc.format.extent11
dc.format.extent1-11
dc.format.mimetypeapplication/pdfen_US
dc.identifier.citationLehtomäki, J, Li, J & Rinke, P 2020, ' Boron doping in gallium oxide from first principles ', Journal of Physics Communications, vol. 4, no. 12, 125001, pp. 1-11 . https://doi.org/10.1088/2399-6528/abcd74en
dc.identifier.doi10.1088/2399-6528/abcd74en_US
dc.identifier.issn2399-6528
dc.identifier.otherPURE UUID: 603668c8-55e8-4851-bd72-fb6f5580f0a0en_US
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/603668c8-55e8-4851-bd72-fb6f5580f0a0en_US
dc.identifier.otherPURE LINK: http://www.scopus.com/inward/record.url?scp=85097673651&partnerID=8YFLogxKen_US
dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/54469318/Lehtom_ki_2020_J._Phys._Commun._4_125001.pdfen_US
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/101501
dc.identifier.urnURN:NBN:fi:aalto-2020123160322
dc.language.isoenen
dc.publisherInstitute of Physics Publishing
dc.relation.ispartofseriesJournal of Physics Communicationsen
dc.relation.ispartofseriesVolume 4, issue 12en
dc.rightsopenAccessen
dc.subject.keywordBoronen_US
dc.subject.keywordDefecten_US
dc.subject.keywordDensity functional theoryen_US
dc.subject.keywordGallium oxideen_US
dc.subject.keywordHybrid functionalen_US
dc.subject.keywordNeutron detectionen_US
dc.titleBoron doping in gallium oxide from first principlesen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.versionpublishedVersion
Files