Title of Paper:Strain Modulation of Electronic and Heat Transport Properties of Bilayer Boronitrene

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Date of Publication:2017-10-01

Journal:INTERNATIONAL JOURNAL OF THERMOPHYSICS

Included Journals:SCIE、EI

Volume:38

Issue:10

ISSN No.:0195-928X

Key Words:Boronitrene; First-principle calculations; Heat transfer

Abstract:Strain engineering has been proven as an effective approach to modify electronic and thermal properties of materials. Recently, strain effects on two-dimensional materials have become important relevant topics in this field. We performed density functional theory studies on the electronic and heat transport properties of bilayer boronitrene samples under an isotropic strain. We demonstrate that the strain will reduce the band gap width but keep the band gap type robust and direct. The strain will enhance the thermal conductivity of the system because of the increase in specific heat. The thermal conductivitywas studied as a function of the phonon mean-free path.