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dc.contributor.authorNevalaita, Janne
dc.contributor.authorKoskinen, Pekka
dc.date.accessioned2018-01-18T12:08:38Z
dc.date.available2018-01-18T12:08:38Z
dc.date.issued2018
dc.identifier.citationNevalaita, J., & Koskinen, P. (2018). Atlas for the properties of elemental two-dimensional metals. <i>Physical Review B</i>, <i>97</i>(3), Article 035411. <a href="https://doi.org/10.1103/PhysRevB.97.035411" target="_blank">https://doi.org/10.1103/PhysRevB.97.035411</a>
dc.identifier.otherCONVID_27837532
dc.identifier.otherTUTKAID_76467
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/56792
dc.description.abstractCommon two-dimensional (2D) materials have a layered three-dimensional (3D) structure with covalently bonded, atomically thin layers held together by weak van der Waals forces. However, in a recent transmission electron microscopy experiment, atomically thin 2D patches of iron were discovered inside a graphene nanopore. Motivated by this discovery, we perform a systematic density-functional study on atomically thin elemental 2D metal films, using 45 metals in three lattice structures. Cohesive energies, equilibrium distances, and bulk moduli in 2D are found to be linearly correlated to the corresponding 3D bulk properties, enabling the quick estimation of these values for a given 2D metal and lattice structure. In-plane elastic constants show that most 2D metals are stable in hexagonal and honeycomb, but unstable in square 2D structures. Many 2D metals are surprisingly stable against bending.en
dc.language.isoeng
dc.publisherAmerican Physical Society
dc.relation.ispartofseriesPhysical Review B
dc.subject.othertwo-dimensional metals
dc.subject.othertwo-dimensional materials
dc.titleAtlas for the properties of elemental two-dimensional metals
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201801111151
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineFysiikkafi
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiainePhysicsen
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2018-01-11T07:15:05Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.relation.issn2469-9950
dc.relation.numberinseries3
dc.relation.volume97
dc.type.versionpublishedVersion
dc.rights.copyright© 2018 American Physical Society. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber297115
dc.relation.doi10.1103/PhysRevB.97.035411
dc.relation.funderSuomen Akatemiafi
dc.relation.funderAcademy of Finlanden
jyx.fundingprogramAkatemiahanke, SAfi
jyx.fundingprogramAcademy Project, AoFen
jyx.fundinginformationWe acknowledge the Academy of Finland for funding (Project No. 297115).


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