Electronic and Magnetic Properties of 2D/3D MnB: An Ab-initio & Monte Carlo Study

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dc.contributor.authorDuru, Izzet Parug
dc.date.accessioned2024-06-13T20:13:51Z
dc.date.available2024-06-13T20:13:51Z
dc.date.issued2022
dc.departmentİstanbul Gedik Üniversitesi
dc.description.abstractDefect-induced magnetic phases of 2D and 3D MnB were discussed. The exciting ferromagnetic behavior of MnB MBene is particularly tracked, including high-rated Mn defects via ab-initio calculations and Monte Carlo simulations. Ground state solution was achieved through GGA in PBESol scheme resulting in magnetic state and moments of Mn ions including the density of states around Fermi level. Magnetic susceptibility and magnetization behavior related to temperature was obtained through Monte Carlo simulations based on the Heisenberg model applying Metropolis criteria. The authors focused on controlling the Curie temperature considering the location of Mn defects. The coexistence of the various defect locations opened a realistic window to estimate Curie temperature consistent with experimental values. Exchange energies of 2D MnB different defect locations quite differ from each other. In addition, magnetic moments of the sheet material were found to be higher than 3D bulk MnB.
dc.identifier.doi10.17350/HJSE19030000260
dc.identifier.endpage110
dc.identifier.issn2149-2123
dc.identifier.issn2148-4171
dc.identifier.issue2
dc.identifier.startpage103
dc.identifier.trdizinid1116266
dc.identifier.urihttps://doi.org/10.17350/HJSE19030000260
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/1116266
dc.identifier.urihttps://hdl.handle.net/11501/721
dc.identifier.volume9
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofHittite Journal of Science and Engineering
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.titleElectronic and Magnetic Properties of 2D/3D MnB: An Ab-initio & Monte Carlo Study
dc.typeArticle

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