Two-Dimensional Materials from Data Filtering and Ab Initio Calculations

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorLebègue, S.
dc.contributor.authorBjörkman, T.
dc.contributor.authorKlintenberg, M.
dc.contributor.authorNieminen, Risto M.
dc.contributor.authorEriksson, O.
dc.contributor.departmentTeknillisen fysiikan laitosfi
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.schoolPerustieteiden korkeakoulufi
dc.contributor.schoolSchool of Scienceen
dc.date.accessioned2015-08-31T09:01:46Z
dc.date.available2015-08-31T09:01:46Z
dc.date.issued2013
dc.description.abstractProgress in materials science depends on the ability to discover new materials and to obtain and understand their properties. This has recently become particularly apparent for compounds with reduced dimensionality, which often display unexpected physical and chemical properties, making them very attractive for applications in electronics, graphene being so far the most noteworthy example. Here, we report some previously unknown two-dimensional materials and their electronic structure by data mining among crystal structures listed in the International Crystallographic Structural Database, combined with density-functional-theory calculations. As a result, we propose to explore the synthesis of a large group of two-dimensional materials, with properties suggestive of applications in nanoscale devices, and anticipate further studies of electronic and magnetic phenomena in low-dimensional systems.en
dc.description.versionPeer revieweden
dc.format.extent031002/1-7
dc.format.mimetypeapplication/pdfen
dc.identifier.citationLebègue, S. & Björkman, T. & Klintenberg, M. & Nieminen, Risto M. & Eriksson, O. 2013. Two-Dimensional Materials from Data Filtering and Ab Initio Calculations. Physical Review X. Volume 3, Issue 3. ISSN 2160-3308 (printed). DOI: 10.1103/physrevx.3.031002.en
dc.identifier.doi10.1103/physrevx.3.031002
dc.identifier.issn2160-3308 (printed)
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/17529
dc.identifier.urnURN:NBN:fi:aalto-201508314148
dc.language.isoenen
dc.publisherAmerican Physical Society (APS)en
dc.relation.ispartofseriesPhysical Review Xen
dc.relation.ispartofseriesVolume 3, Issue 3
dc.rights© 2013 American Physical Society (APS). This is the accepted version of the following article: Lebègue, S. & Björkman, T. & Klintenberg, M. & Nieminen, Risto M. & Eriksson, O. 2013. Two-Dimensional Materials from Data Filtering and Ab Initio Calculations. Physical Review X. Volume 3, Issue 3. ISSN 2160-3308 (printed). DOI: 10.1103/physrevx.3.031002, which has been published in final form at http://journals.aps.org/prx/abstract/10.1103/PhysRevX.3.031002.en
dc.rights.holderAmerican Physical Society (APS)
dc.subject.keywordcomputational physicsen
dc.subject.keywordcondensed matter physicsen
dc.subject.keywordgrapheneen
dc.subject.otherPhysicsen
dc.titleTwo-Dimensional Materials from Data Filtering and Ab Initio Calculationsen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.dcmitypetexten
dc.type.versionFinal published versionen

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