Please use this identifier to cite or link to this item:
Full metadata record
DC FieldValueLanguage
dc.contributor.authorNahkmedov, E.-
dc.contributor.authorNadimi, E.-
dc.contributor.authorVedaei, S.-
dc.contributor.authorAlekperov, O.-
dc.contributor.authorTatardar, F.-
dc.contributor.authorNajafov, A. I.-
dc.contributor.authorAbbasov, I. I.-
dc.contributor.authorSaletskii, A. M.-
dc.identifier.citationPhysical Review Ben_US
dc.description.abstractVacancy-induced magnetization of a graphene layer is investigated by means of a first-principles DFT method. Calculations of the formation energy and the magnetization by creating the different number of vacancies in a supercell show that a clustering with a big number of vacancies in the cluster is rather favorable to that of isolated vacancies, homogeneously distributed in the layer. The magnetic moment of a cluster with a big number of vacancies is shown to not be proportional with the vacancy concentration, which is in good agreement with the recent experimental results. Our studies support the idea that, although the vacancies in graphene create a magnetic moment, they do not produce a magnetic ordering. It is shown that, although the Lieb's rule for the magnetization in a hexagonal structure violates, two vacancies, including a di-vacancy, in the supercell generates a quasilocalized state when they belong to the different sublattices and, instead, two vacancies generate an extended state when they belong to the same sublattices. Analytical investigation of the dynamics of carbon atom and vacancy concentrations according to the nonlinear continuity equations shows that the vacancies, produced by irradiation at the middle of a graphene layer, migrate to the edge of the sample, resulting in a specific “segregation” of the vacancy concentration and self-healing of the graphene.en_US
dc.publisherAmerican Physical Societyen_US
dc.relation.ispartofseriesVol. 99;Issue 12-
dc.titleVacancy mediated magnetization and healing of a graphene monolayeren_US
Appears in Collections:Publication

Files in This Item:
File Description SizeFormat 
Vacancy mediated magnetization and healing of a graphene monolayer.pdf5.06 MBAdobe PDFView/Open

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.