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Observation of a Dirac state in borophene hetero-bilayers by Cr intercalation

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dc.contributor.authorXiaojing Yao-
dc.contributor.authorDing Yi-
dc.contributor.authorXiuyun Zhang-
dc.date.available2019-05-02T08:08:38Z-
dc.date.created2019-03-18-
dc.date.issued2019-02-
dc.identifier.issn2050-7526-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/5698-
dc.description.abstractBy intercalating Cr atoms into borophene hetero-bilayers (BHBs), three kinds of Cr@BHBs, namely, Cr@BHB(1,), Cr@BHB(1,1) and Cr@BHB(,1) are constructed and intriguing electronic and magnetic properties are predicted by density functional theory calculations. Interestingly, a Dirac cone is found in Cr@BHB(1,), which is well conserved even under 8% tensile strain along uniaxial x and biaxial xy directions, and up to 4% tensile strain along the y direction. On the contrary, the Dirac cone disappears when exerting biaxial or uniaxial compressive strains, and Cr@BHB(1,) is transformed into a ferromagnetic half metal or metal eventually. In addition, the Cr@BHB(1,1) and Cr@BHB(,1) isomers are found to be an antiferromagnetic semiconductor and ferromagnetic half metal, respectively, and their electronic and magnetic properties are sensitive to the external strains. Our study proposes a pathway for designing borophene based materials with intriguing properties, which may have potential applications in electronics and spintronics. ©The Royal Society of Chemistry 2019-
dc.description.uri1-
dc.language영어-
dc.publisherROYAL SOC CHEMISTRY-
dc.titleObservation of a Dirac state in borophene hetero-bilayers by Cr intercalation-
dc.typeArticle-
dc.type.rimsART-
dc.identifier.wosid000459725400026-
dc.identifier.scopusid2-s2.0-85061756903-
dc.identifier.rimsid67493-
dc.contributor.affiliatedAuthorDing Yi-
dc.identifier.doi10.1039/c8tc06553e-
dc.identifier.bibliographicCitationJOURNAL OF MATERIALS CHEMISTRY C, v.7, no.7, pp.2068 - 2075-
dc.citation.titleJOURNAL OF MATERIALS CHEMISTRY C-
dc.citation.volume7-
dc.citation.number7-
dc.citation.startPage2068-
dc.citation.endPage2075-
dc.description.journalClass1-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.subject.keywordPlusTOTAL-ENERGY CALCULATIONS-
dc.subject.keywordPlusBORON-
dc.subject.keywordPlusSEMICONDUCTORS-
dc.subject.keywordPlusMONOLAYER-
dc.subject.keywordPlusMETALS-
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Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > 1. Journal Papers (저널논문)
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