Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2 systems

Handle URI:
http://hdl.handle.net/10754/315790
Title:
Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2 systems
Authors:
Cheng, Yingchun; Guo, Z. B.; Mi, W. B.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Zhu, Zhiyong
Abstract:
Using 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Cheng 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.
Publisher:
American Physical Society
Journal:
Physical Review B
Issue Date:
5-Mar-2013
DOI:
10.1103/PhysRevB.87.100401
Type:
Article
ISSN:
1098-0121; 1550-235X
Additional Links:
http://link.aps.org/doi/10.1103/PhysRevB.87.100401
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorCheng, Yingchunen
dc.contributor.authorGuo, Z. B.en
dc.contributor.authorMi, W. B.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorZhu, Zhiyongen
dc.date.accessioned2014-04-13T13:53:10Z-
dc.date.available2014-04-13T13:53:10Z-
dc.date.issued2013-03-05en
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.en
dc.identifier.issn1098-0121en
dc.identifier.issn1550-235Xen
dc.identifier.doi10.1103/PhysRevB.87.100401en
dc.identifier.urihttp://hdl.handle.net/10754/315790en
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.en
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.relation.urlhttp://link.aps.org/doi/10.1103/PhysRevB.87.100401en
dc.rightsArchived with thanks to Physical Review Ben
dc.titlePrediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2 systemsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalPhysical Review Ben
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionTianjin Key Laboratory of Low Dimensional Materials Physics and Preparing Technology, Institute of Advanced Materials Physics, Tianjin University, Tianjin 300072, Chinaen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorCheng, Yingchunen
kaust.authorZhu, Zhiyongen
kaust.authorGuo, Zaibingen
kaust.authorSchwingenschlögl, Udoen
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