Thermomechanical analysis of two-dimensional boron monolayers

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dc.citation.articleNumber165434en_US
dc.citation.issueNumber16en_US
dc.citation.journalTitlePhysical Review Ben_US
dc.citation.volumeNumber93en_US
dc.contributor.authorTsafack, Thierryen_US
dc.contributor.authorYakobson, Boris I.en_US
dc.date.accessioned2016-06-27T15:39:57Zen_US
dc.date.available2016-06-27T15:39:57Zen_US
dc.date.issued2016en_US
dc.description.abstractUsing density functional theory calculations (both perturbed and unperturbed) as well as thermodynamic and ballistic transport equations, what follows investigates thermal and mechanical properties of two-dimensional boron monolayers (δ6, α, δ5, and χ3 sheets with respective vacancy densities η=0, 1/9, 1/7, 1/5) as they relate to the vacancy density. The triangular (δ6) sheet's room-temperature phonon and electron thermal conductances are found, respectively, to be roughly 2.06 times and 6.60 times greater than those of graphene. The Young's moduli, calculated from longitudinal and transverse sound velocities are in good agreement with those obtained from elastic constants. Values range from 171 to 619 N/m, two of which (619 N/m for α sheet and 546 N/m for δ5 sheet) exceed graphene's Young's modulus (∼340N/m). It is determined that the vacancy density has a diminishing effect on both the phonon heat capacity at constant volume and the phonon ballistic thermal conductance, but no regular correlation on the electron heat capacity and electron ballistic thermal conductance.en_US
dc.identifier.citationTsafack, Thierry and Yakobson, Boris I.. "Thermomechanical analysis of two-dimensional boron monolayers." <i>Physical Review B,</i> 93, no. 16 (2016) American Physical Society: http://dx.doi.org/10.1103/PhysRevB.93.165434.en_US
dc.identifier.doihttp://dx.doi.org/10.1103/PhysRevB.93.165434en_US
dc.identifier.urihttps://hdl.handle.net/1911/90580en_US
dc.language.isoengen_US
dc.publisherAmerican Physical Societyen_US
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.en_US
dc.titleThermomechanical analysis of two-dimensional boron monolayersen_US
dc.typeJournal articleen_US
dc.type.dcmiTexten_US
dc.type.publicationpublisher versionen_US
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