The Interface between Gd and Monolayer MoS2: A First-Principles Study

Handle URI:
http://hdl.handle.net/10754/337171
Title:
The Interface between Gd and Monolayer MoS2: A First-Principles Study
Authors:
Zhang, Xuejing; Mi, Wenbo; Wang, Xiaocha; Cheng, Yingchun; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
The Interface between Gd and Monolayer MoS2: A First-Principles Study 2014, 4:7368 Scientific Reports
Publisher:
Nature Publishing Group
Journal:
Scientific Reports
Issue Date:
8-Dec-2014
DOI:
10.1038/srep07368
PubMed ID:
25482498
PubMed Central ID:
PMC4258683
Type:
Article
ISSN:
2045-2322
Sponsors:
The 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).
Additional Links:
http://www.nature.com/doifinder/10.1038/srep07368
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorZhang, Xuejingen
dc.contributor.authorMi, Wenboen
dc.contributor.authorWang, Xiaochaen
dc.contributor.authorCheng, Yingchunen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2014-12-15T05:21:06Z-
dc.date.available2014-12-15T05:21:06Z-
dc.date.issued2014-12-08en
dc.identifier.citationThe Interface between Gd and Monolayer MoS2: A First-Principles Study 2014, 4:7368 Scientific Reportsen
dc.identifier.issn2045-2322en
dc.identifier.pmid25482498en
dc.identifier.doi10.1038/srep07368en
dc.identifier.urihttp://hdl.handle.net/10754/337171en
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.en
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).en
dc.language.isoenen
dc.publisherNature Publishing Groupen
dc.relation.urlhttp://www.nature.com/doifinder/10.1038/srep07368en
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/en
dc.subjectElectronic devicesen
dc.subjectElectronic and spintronic devicesen
dc.titleThe Interface between Gd and Monolayer MoS2: A First-Principles Studyen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalScientific Reportsen
dc.identifier.pmcidPMC4258683en
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionTianjin Key Laboratory of Film Electronic & Communicate Devices, School of Electronics Information Engineering, Tianjin University of Technology, Tianjin 300191, Chinaen
dc.contributor.institutionTianjin Key Laboratory of Low Dimensional Materials Physics and Preparation Technology, Faculty of Science, Tianjin University, Tianjin 300072, Chinaen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorCheng, Yingchunen
kaust.authorSchwingenschlögl, Udoen

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