Magnetization of silicene via coverage with gadolinium: Effects of thickness, symmetry, strain, and coverage

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dc.authoridakturk, ethem/0000-0002-1615-7841
dc.authoridDemirci, Salih/0000-0002-1272-9603
dc.authoridGorkan, Taylan/0000-0003-0411-3734
dc.authoridCallioglu, Safak/0000-0002-7491-2497
dc.contributor.authorDemirci, Salih
dc.contributor.authorGorkan, Taylan
dc.contributor.authorCallioglu, Safak
dc.contributor.authorYuksel, Yusuf
dc.contributor.authorAkinci, Umit
dc.contributor.authorAkturk, Ethem
dc.contributor.authorCiraci, Salim
dc.date.accessioned2025-01-21T16:42:26Z
dc.date.available2025-01-21T16:42:26Z
dc.date.issued2021
dc.departmentKırıkkale Üniversitesi
dc.description.abstractWhen covered by gadolinium (Gd) atoms, silicene, a freestanding monolayer of Si atoms in a honeycomb network, remains stable above the room temperature and becomes a two-dimensional (2D) ferromagnetic semiconductor, despite the antiferromagnetic ground state of three-dimensional bulk GdSi2 crystal. In thin GdSi2 multilayers, even if magnetic moments are ordered parallel in the same Gd atomic planes, they are antiparallel between nearest Gd planes; hence they exhibit a ferrimagnetic behavior. In contrast, a freestanding Gd2Si2 monolayer constructed by covering silicene from both sides by Gd atoms is a stable antiferromagnetic metal due to the mirror symmetry. While multilayers covered by Gd from both sides having an odd number of Gd planes have a ferrimagneticlike ground state, even-numbered ones have antiferromagnetic ground state, but none of them is ferromagnetic. Silicon atoms intervening between Gd planes are responsible for these intriguing magnetic orders conforming with the recent experiments performed on Si(111) surface. Additionally, the magnetic states of these 2D gadolinium disilicide monolayers can be monitored by applied tensile strain and by the coverage/decoration of Gd. These predictions obtained by using first-principles, spin-polarized, density functional theory calculations combined with Monte Carlo simulations herald that C, B, Si, Ge, Sn, and their compounds functionalized by rare-earth atoms can lead to novel nanostructures in 2D spintronics.
dc.description.sponsorshipScientific and Technological Research Council of Turkey (TUBITAK) [118F354]; Academy of Science of Turkey (TUBA); Humboldt Research Fellowship for Experienced Researchers
dc.description.sponsorshipThe computational resources are provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) under Research Project No. 118F354. S.C. acknowledges the financial support of Academy of Science of Turkey (TUBA). E.A. acknowledges support as a Humboldt Research Fellowship for Experienced Researchers.
dc.identifier.doi10.1103/PhysRevB.104.224427
dc.identifier.issn2469-9950
dc.identifier.issn2469-9969
dc.identifier.issue22
dc.identifier.scopus2-s2.0-85122087389
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1103/PhysRevB.104.224427
dc.identifier.urihttps://hdl.handle.net/20.500.12587/25078
dc.identifier.volume104
dc.identifier.wosWOS:000736983200001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherAmer Physical Soc
dc.relation.ispartofPhysical Review B
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241229
dc.titleMagnetization of silicene via coverage with gadolinium: Effects of thickness, symmetry, strain, and coverage
dc.typeArticle

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