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A density functional theory study of the tunable structure, magnetism and metal-insulator phase transition in VS2 monolayers induced by in-plane biaxial strain

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dc.contributor.authorMin Kan-
dc.contributor.authorWang B.-
dc.contributor.authorYoung Hee Lee-
dc.contributor.authorQiang Sun-
dc.date.available2015-06-11T05:41:31Z-
dc.date.created2015-01-21-
dc.date.issued2015-04-
dc.identifier.issn1998-0124-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/1624-
dc.description.abstractWe report a density functional theory study of a phase transition of a VS2 monolayer that can be tuned by the in-plane biaxial strain. This results in both a metal–insulator transition and a low spin–high spin magnetic transition. At low temperature, the semiconducting H-phase is stable and large strain (>3%) is required to provoke the transition. On the other hand, at room temperature (300 K), only a small tensile strain of 2% is needed to induce the phase transition from the semiconducting H-phase to the metallic T-phase together with the magnetic transition from high spin to low spin. The phase diagram dependence on both strain and temperature is also discussed in order to provide a better understanding of the phase stability of VS2 monolayers.-
dc.language영어-
dc.publisherTSINGHUA UNIV PRESS-
dc.subjectphase transition, biaxial strain, phase diagram, density functional theory(DFT), transition metal dichalcogenide (TMD) materials-
dc.titleA density functional theory study of the tunable structure, magnetism and metal-insulator phase transition in VS2 monolayers induced by in-plane biaxial strain-
dc.typeArticle-
dc.type.rimsART-
dc.identifier.wosid000353807500028-
dc.identifier.scopusid2-s2.0-84930682952-
dc.identifier.rimsid16969ko
dc.date.tcdate2018-10-01-
dc.contributor.affiliatedAuthorMin Kan-
dc.contributor.affiliatedAuthorYoung Hee Lee-
dc.identifier.doi10.1007/s12274-014-0626-5-
dc.identifier.bibliographicCitationNANO RESEARCH, v.8, no.4, pp.1348 - 1356-
dc.relation.isPartOfNANO RESEARCH-
dc.citation.titleNANO RESEARCH-
dc.citation.volume8-
dc.citation.number4-
dc.citation.startPage1348-
dc.citation.endPage1356-
dc.date.scptcdate2018-10-01-
dc.description.wostc23-
dc.description.scptc22-
dc.description.journalClass1-
dc.description.journalClass1-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.relation.journalWebOfScienceCategoryChemistry, Physical-
dc.relation.journalWebOfScienceCategoryNanoscience & Nanotechnology-
dc.relation.journalWebOfScienceCategoryMaterials Science, Multidisciplinary-
dc.relation.journalWebOfScienceCategoryPhysics, Applied-
dc.subject.keywordPlusMOS2-
dc.subject.keywordPlusGRAPHENE-
dc.subject.keywordPlusFERROMAGNETISM-
dc.subject.keywordPlusDICHALCOGENIDES-
dc.subject.keywordPlusSE-
dc.subject.keywordAuthorphase transition-
dc.subject.keywordAuthorbiaxial strain-
dc.subject.keywordAuthorphase diagram-
dc.subject.keywordAuthordensity functional theory (DFT)-
dc.subject.keywordAuthortransition metal dichalcogenide (TMD) materials-
Appears in Collections:
Center for Integrated Nanostructure Physics(나노구조물리 연구단) > 1. Journal Papers (저널논문)
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