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dc.creatorYu, L
dc.creatorYan, Q
dc.creatorRuzsinszky, A
dc.date.accessioned2021-01-22T20:59:00Z
dc.date.available2021-01-22T20:59:00Z
dc.date.issued2017-05-25
dc.identifier.issn2041-1723
dc.identifier.issn2041-1723
dc.identifier.doihttp://dx.doi.org/10.34944/dspace/4876
dc.identifier.other28541270 (pubmed)
dc.identifier.urihttp://hdl.handle.net/20.500.12613/4894
dc.description.abstract© The Author(s) 2017. Materials with a negative Poisson's ratio, also known as auxetic materials, exhibit unusual and counterintuitive mechanical behaviour - becoming fatter in cross-section when stretched. Such behaviour is mostly attributed to some special re-entrant or hinged geometric structures regardless of the chemical composition and electronic structure of a material. Here, using first-principles calculations, we report a class of auxetic single-layer two-dimensional materials, namely, the 1T-type monolayer crystals of groups 6-7 transition-metal dichalcogenides, MX 2 (M=Mo, W, Tc, Re; X=S, Se, Te). These materials have a crystal structure distinct from all other known auxetic materials. They exhibit an intrinsic in-plane negative Poisson's ratio, which is dominated by electronic effects. We attribute the occurrence of such auxetic behaviour to the strong coupling between the chalcogen p orbitals and the intermetal t 2g -bonding orbitals within the basic triangular pyramid structure unit. The unusual auxetic behaviour in combination with other remarkable properties of monolayer two-dimensional materials could lead to novel multi-functionalities.
dc.format.extent15224-
dc.language.isoen
dc.relation.haspartNature Communications
dc.relation.isreferencedbySpringer Science and Business Media LLC
dc.rightsCC BY
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectcond-mat.mtrl-sci
dc.subjectcond-mat.mtrl-sci
dc.titleNegative Poisson's ratio in 1T-type crystalline two-dimensional transition metal dichalcogenides
dc.typeArticle
dc.type.genreJournal Article
dc.relation.doi10.1038/ncomms15224
dc.ada.noteFor Americans with Disabilities Act (ADA) accommodation, including help with reading this content, please contact scholarshare@temple.edu
dc.date.updated2021-01-22T20:58:56Z
refterms.dateFOA2021-01-22T20:59:00Z


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