Three-dimensional buckled honeycomb boron lattice with vacancies as an intermediate phase on the transition pathway from alpha-B to gamma-B

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dc.contributor.authorHan, Woo Hyunko
dc.contributor.authorOh, Young Junko
dc.contributor.authorChoe, Duk-Hyunko
dc.contributor.authorKim, Sunghyunko
dc.contributor.authorLee, In-Hoko
dc.contributor.authorChang, Kee Jooko
dc.date.accessioned2017-08-16T08:53:26Z-
dc.date.available2017-08-16T08:53:26Z-
dc.date.created2017-07-24-
dc.date.created2017-07-24-
dc.date.created2017-07-24-
dc.date.issued2017-07-
dc.identifier.citationNPG ASIA MATERIALS, v.9, pp.e400 - e400-
dc.identifier.issn1884-4049-
dc.identifier.urihttp://hdl.handle.net/10203/225338-
dc.description.abstractIn the phase diagram of elemental boron, an unknown high-pressure form was identified as gamma-orthorhombic boron (gamma-B-28), provoking studies of the extraordinary properties of its main building blocks, B-12 icosahedra and B-2 dumbbells. Although two low-pressure phases, alpha- and beta-rhombohedral boron (alpha-B-12 and beta-B-106), are also composed of icosahedra, the detailed kinetics and mechanisms of the structural transition from alpha-B-12 or beta-B-106 to gamma-B-28 remain poorly understood. We report on new metastable boron phases formed during the transition in high-pressure high-temperature conditions that were discovered using the crystal structure search method. The metastable phases are understood to be a three-dimensional buckled defective honeycomb lattice in which boron vacancies lead to a dynamically and mechanically stable structure with triangular motifs. We suggest that the metastable phases act as intermediate states on the transition pathway from alpha-B-12 to gamma-B-28 owing to their structural flexibility and low enthalpies, in the framework of Ostwald's step rule.-
dc.languageEnglish-
dc.publisherNATURE PUBLISHING GROUP-
dc.subjectRHOMBOHEDRAL BORON-
dc.subjectCRYSTAL-STRUCTURE-
dc.subjectPOLYMORPHS-
dc.subjectDESIGN-
dc.subjectFORM-
dc.titleThree-dimensional buckled honeycomb boron lattice with vacancies as an intermediate phase on the transition pathway from alpha-B to gamma-B-
dc.typeArticle-
dc.identifier.wosid000404988500003-
dc.identifier.scopusid2-s2.0-85022216720-
dc.type.rimsART-
dc.citation.volume9-
dc.citation.beginningpagee400-
dc.citation.endingpagee400-
dc.citation.publicationnameNPG ASIA MATERIALS-
dc.identifier.doi10.1038/am.2017.98-
dc.embargo.liftdate9999-12-31-
dc.embargo.terms9999-12-31-
dc.contributor.localauthorChang, Kee Joo-
dc.contributor.nonIdAuthorOh, Young Jun-
dc.contributor.nonIdAuthorChoe, Duk-Hyun-
dc.contributor.nonIdAuthorLee, In-Ho-
dc.description.isOpenAccessN-
dc.type.journalArticleArticle-
dc.subject.keywordPlusRHOMBOHEDRAL BORON-
dc.subject.keywordPlusCRYSTAL-STRUCTURE-
dc.subject.keywordPlusPOLYMORPHS-
dc.subject.keywordPlusDESIGN-
dc.subject.keywordPlusFORM-
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