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    Thermomechanical analysis of two-dimensional boron monolayers

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    Author
    Tsafack, Thierry; Yakobson, Boris I.
    Date
    2016
    Abstract
    Using 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.
    Citation
    Tsafack, Thierry and Yakobson, Boris I.. "Thermomechanical analysis of two-dimensional boron monolayers." Physical Review B, 93, no. 16 (2016) American Physical Society: http://dx.doi.org/10.1103/PhysRevB.93.165434.
    Published Version
    http://dx.doi.org/10.1103/PhysRevB.93.165434
    Type
    Journal article
    Publisher
    American Physical Society
    Citable link to this page
    https://hdl.handle.net/1911/90580
    Rights
    Article 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.
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    • Faculty Publications [5504]
    • Materials Science and NanoEngineering Publications [404]

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    Home | FAQ | Contact Us | Privacy Notice | Accessibility Statement
    Managed by the Digital Scholarship Services at Fondren Library, Rice University
    Physical Address: 6100 Main Street, Houston, Texas 77005
    Mailing Address: MS-44, P.O.BOX 1892, Houston, Texas 77251-1892
    Site Map