Effects of charging and perpendicular electric field on the properties of silicene and germanene

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buir.contributor.authorÇıracı, Salim
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage305007-7en_US
dc.citation.issueNumber30en_US
dc.citation.spage305007-1en_US
dc.citation.volumeNumber25en_US
dc.contributor.authorGürel, H. H.en_US
dc.contributor.authorÖzçelik, V. O.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2016-02-08T09:37:08Z
dc.date.available2016-02-08T09:37:08Z
dc.date.issued2013en_US
dc.departmentInstitute of Materials Science and Nanotechnology (UNAM)en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractUsing first-principles density functional theory calculations, we showed that electronic and magnetic properties of bare and Ti adatom adsorbed single-layer silicene and germanene, which are charged or subjected to a perpendicular electric field, can be modified to attain new functionalities. In particular, when subjected to a perpendicular electric field, buckled atoms have the symmetry between their planes broken, opening a gap at the Dirac points. The occupation of 3d orbitals of the adsorbed Ti atom changes with charging or applied electric field, inducing significant changes in magnetic moment. We predict neutral silicene uniformly covered by Ti atoms to become a half-metal at a specific value of coverage and hence allow the transport of electrons in one spin direction, but block the opposite direction. These calculated properties, however, exhibit a dependence on the size of the vacuum spacing between periodically repeating silicene and germanene layers, if they are treated using a plane wave basis set within periodic boundary conditions. We clarified the cause of this spurious dependence and show that it can be eliminated by the use of a local orbital basis set. © 2013 IOP Publishing Ltd.en_US
dc.identifier.doi10.1088/0953-8984/25/30/305007en_US
dc.identifier.issn1361-648X
dc.identifier.urihttp://hdl.handle.net/11693/20882
dc.language.isoEnglishen_US
dc.publisherInstitute of Physics Publishingen_US
dc.relation.isversionofhttp://dx.doi.org/10.1088/0953-8984/25/30/305007en_US
dc.source.titleJournal of Physics Condensed Matteren_US
dc.titleEffects of charging and perpendicular electric field on the properties of silicene and germaneneen_US
dc.typeArticleen_US
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Institute of Materials Science and Nanotechnology (UNAM)
Department of Physics