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dc.contributor.authorCheng, Yingchun
dc.contributor.authorGuo, Zaibing
dc.contributor.authorMi, W. B.
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorZhu, Zhiyong
dc.date.accessioned2014-04-13T13:53:10Z
dc.date.available2014-04-13T13:53:10Z
dc.date.issued2013-03-05
dc.identifier.citationCheng Y, Zhu Z, Mi W, Guo Z, Schwingenschlögl U (2013) Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2 systems. Phys Rev B 87. doi:10.1103/PhysRevB.87.100401.
dc.identifier.issn1098-0121
dc.identifier.issn1550-235X
dc.identifier.doi10.1103/PhysRevB.87.100401
dc.identifier.urihttp://hdl.handle.net/10754/315790
dc.description.abstractUsing first-principles calculations, we propose a two-dimensional diluted magnetic semiconductor: monolayer MoS2 doped by transition metals. Doping of transition metal atoms from the IIIB to VIB groups results in nonmagnetic states, since the number of valence electrons is smaller or equal to that of Mo. Doping of atoms from the VIIB to IIB groups becomes energetically less and less favorable. Magnetism is observed for Mn, Fe, Co, Zn, Cd, and Hg doping, while for the other dopants from these groups it is suppressed by Jahn-Teller distortions. Analysis of the binding energies and magnetic properties indicates that (Mo,X)S2 (X=Mn, Fe, Co, and Zn) are promising systems to explore two-dimensional diluted magnetic semiconductors.
dc.language.isoen
dc.publisherAmerican Physical Society (APS)
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.87.100401
dc.rightsArchived with thanks to Physical Review B
dc.titlePrediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2 systems
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentImaging and Characterization Core Lab
dc.contributor.departmentKAUST Supercomputing Laboratory (KSL)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.contributor.departmentSupercomputing, Computational Scientists
dc.identifier.journalPhysical Review B
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionTianjin Key Laboratory of Low Dimensional Materials Physics and Preparing Technology, Institute of Advanced Materials Physics, Tianjin University, Tianjin 300072, China
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personCheng, Yingchun
kaust.personZhu, Zhiyong
kaust.personGuo, Zaibing
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T04:01:19Z


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