Two-dimensional boron hydride sheets: High stability, massless dirac fermions, and excellent mechanical properties

Jiao, Yalong and Ma, Fengxian and Bell, John and Bilic, Ante and Du, Aijun (2016) Two-dimensional boron hydride sheets: High stability, massless dirac fermions, and excellent mechanical properties. Angewandte Chemie - International Edition, 55 (35). pp. 10292-10295. ISSN 1433-7851


Abstract

Two‐dimensional (2D) boron sheets have been successfully synthesized in recent experiments, however, some important issues remain, including the dynamical instability, high energy, and the active surface of the sheets. In an attempt to stabilize 2D boron layers, we have used density functional theory and global minimum search with the particle‐swarm optimization method to predict four stable 2D boron hydride layers, namely the C2/m, Pbcm, Cmmm, and Pmmn sheets. The vibrational normal mode calculations reveal all these structures are dynamically stable, indicating potential for successful experimental synthesis. The calculated Young's modulus indicates a high mechanical strength for the C2/m and Pbcm phases. Most importantly, the C2/m, Pbcm, and Pmmn structures exhibit Dirac cones with massless Dirac fermions and the Fermi velocities for the Pbcm and Cmmm structures are even higher than that of graphene. The Cmmm phase is reported as the first discovery of Dirac ring material among boron‐based 2D structures. The unique electronic structure of the 2D boron hydride sheets makes them ideal for nanoelectronics applications.


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Item Type: Article (Commonwealth Reporting Category C)
Refereed: Yes
Item Status: Live Archive
Additional Information: Files associated with this item cannot be displayed due to copyright restrictions.
Faculty/School / Institute/Centre: Current - Research and Innovation Division (12 Jul 2012 -)
Faculty/School / Institute/Centre: Current - Research and Innovation Division (12 Jul 2012 -)
Date Deposited: 11 Sep 2020 01:11
Last Modified: 30 Sep 2020 01:36
Uncontrolled Keywords: boron hydride sheets; density functional theory; Dirac cone; Dirac ring; particle swarm optimization
Fields of Research (2008): 09 Engineering > 0904 Chemical Engineering > 090499 Chemical Engineering not elsewhere classified
Fields of Research (2020): 40 ENGINEERING > 4004 Chemical engineering > 400499 Chemical engineering not elsewhere classified
Identification Number or DOI: https://doi.org/10.1002/anie.201604369
URI: http://eprints.usq.edu.au/id/eprint/39365

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