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dc.contributor.authorZhang, Xuejing
dc.contributor.authorMi, Wenbo
dc.contributor.authorWang, Xiaocha
dc.contributor.authorCheng, Yingchun
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2014-12-15T05:21:06Z
dc.date.available2014-12-15T05:21:06Z
dc.date.issued2014-12-08
dc.identifier.citationThe Interface between Gd and Monolayer MoS2: A First-Principles Study 2014, 4:7368 Scientific Reports
dc.identifier.issn2045-2322
dc.identifier.pmid25482498
dc.identifier.doi10.1038/srep07368
dc.identifier.urihttp://hdl.handle.net/10754/337171
dc.description.abstractWe analyze the electronic structure of interfaces between two-, four- and six-layer Gd(0001) and monolayer MoS2 by first-principles calculations. Strong chemical bonds shift the Fermi energy of MoS2 upwards into the conduction band. At the surface and interface the Gd f states shift to lower energy and new surface/interface Gd d states appear at the Fermi energy, which are strongly hybridized with the Mo 4d states and thus lead to a high spin-polarization (ferromagnetically ordered Mo magnetic moments of 0.15 μB). Gd therefore is an interesting candidate for spin injection into monolayer MoS2.
dc.description.sponsorshipThe work was supported by the National Natural Science Foundation of China (51171126), the Key Project of the Natural Science Foundation of Tianjin City (12JCZDJC27100), the Program for New Century Excellent Talents in University (NCET-13-0409) and the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry. Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).
dc.language.isoen
dc.publisherSpringer Nature
dc.relation.urlhttp://www.nature.com/doifinder/10.1038/srep07368
dc.rightsThis work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
dc.subjectElectronic devices
dc.subjectElectronic and spintronic devices
dc.titleThe Interface between Gd and Monolayer MoS2: A First-Principles Study
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalScientific Reports
dc.identifier.pmcidPMC4258683
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionTianjin Key Laboratory of Film Electronic & Communicate Devices, School of Electronics Information Engineering, Tianjin University of Technology, Tianjin 300191, China
dc.contributor.institutionTianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology, Faculty of Science, Tianjin University, Tianjin 300072, China
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personCheng, Yingchun
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-13T10:42:51Z
dc.date.published-online2014-12-08
dc.date.published-print2015-05


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