Ab initio prediction of nontrivial topological band and superconductivity in stable metallic Si allotropes at ambient pressure

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dc.contributor.authorKang, Yoon-Guko
dc.contributor.authorLee, In-Hoko
dc.contributor.authorHan, Myung Joonko
dc.contributor.authorChang, Kee Jooko
dc.date.accessioned2021-10-31T06:41:52Z-
dc.date.available2021-10-31T06:41:52Z-
dc.date.created2021-10-31-
dc.date.created2021-10-31-
dc.date.created2021-10-31-
dc.date.created2021-10-31-
dc.date.created2021-10-31-
dc.date.created2021-10-31-
dc.date.issued2021-10-
dc.identifier.citationPHYSICAL REVIEW MATERIALS, v.5, no.10, pp.104802 - 104802-
dc.identifier.issn2475-9953-
dc.identifier.urihttp://hdl.handle.net/10203/288465-
dc.description.abstractBased on first-principles density functional calculations, we report the existence of both nontrivial band topology and superconductivity in three metallic Si allotropes, termedCmcm-Si-4, Cmmm-Si-4, and I4/mmm-Si-4. Cmcm-Si-4 and I4/mmm-Si-4 are predicted in this study, whereas Cmmm-Si-4 was proposed in previous theoretical calculations. These metastable allotropes retain their crystalline structure at ambient pressure and exhibit superconductivity at the critical temperatures of 1.2-11.4 K. We investigate the topological characteristics of the electronic states and find the weak topological nature for all three allotropes. ForCmcm-Si-4, in particular, the formation of the surface Dirac point is clearly identified. Our result provides a promising platform for realizing a topological superconducting state in all-Si systems at ambient pressure.-
dc.languageEnglish-
dc.publisherAMER PHYSICAL SOC-
dc.titleAb initio prediction of nontrivial topological band and superconductivity in stable metallic Si allotropes at ambient pressure-
dc.typeArticle-
dc.identifier.wosid000707558400004-
dc.identifier.scopusid2-s2.0-85117169374-
dc.type.rimsART-
dc.citation.volume5-
dc.citation.issue10-
dc.citation.beginningpage104802-
dc.citation.endingpage104802-
dc.citation.publicationnamePHYSICAL REVIEW MATERIALS-
dc.identifier.doi10.1103/PhysRevMaterials.5.104802-
dc.embargo.liftdate9999-12-31-
dc.embargo.terms9999-12-31-
dc.contributor.localauthorHan, Myung Joon-
dc.contributor.localauthorChang, Kee Joo-
dc.contributor.nonIdAuthorLee, In-Ho-
dc.description.isOpenAccessN-
dc.type.journalArticleArticle-
dc.subject.keywordPlusMETASTABLE PHASES-
dc.subject.keywordPlusLITHIUM SILICIDES-
dc.subject.keywordPlusSILICON-
dc.subject.keywordPlusTEMPERATURE-
dc.subject.keywordPlusTRANSITIONS-
dc.subject.keywordPlusDIAGRAM-
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