Chemical doping-induced gap opening and spin polarization in graphene

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dc.creatorGuerini, I. Zanella S.
dc.creatorFagan, S. B.
dc.creatorFilho, J. Mendes
dc.creatorFilho, A. G. Souza
dc.date2007-11-07
dc.date.accessioned2026-07-07T08:41:23Z
dc.date.available2026-07-07T08:41:23Z
dc.descriptionBy using first principles calculations we report a chemical doping induced gap in graphene. The structural and electronic properties of CrO$_3$ interacting with graphene layer are calculated using ab initio methods based on the density functional theory. The CrO$_3$ acts as an electron acceptor modifying the original electronic and magnetic properties of the graphene surface through a chemical adsorption. The changes induced in the electronic properties are strongly dependent of the CrO$_3$ adsorption site and for some sites it is possible to open a gap in the electronic band structure. Spin polarization effects are also predicted for some adsorption configurations.
dc.description9 pages, 2 figures
dc.identifierhttps://arxiv.org/abs/0711.1131
dc.identifierhttp://arxiv.org/abs/0711.1131
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/141661
dc.subjectMaterials Science
dc.titleChemical doping-induced gap opening and spin polarization in graphene
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