Dirac cones in Two-dimensional Borane

Abstract

We introduce two-dimensional borane, a single-layered material of BH stoichiometry, with promising electronic properties. We show that, according to Density Functional Theory calculations, two-dimensional borane is semimetallic, with two symmetry-related Dirac cones meeting right at the Fermi energy $E_f$. The curvature of the cones is lower than in graphene, thus closer to the ideal linear dispersion. Its structure, formed by a puckered trigonal boron network with hydrogen atoms connected to each boron atom, can be understood as distorted, hydrogenated borophene (Science \textbf{350}, 1513 (2015)). Chemical bonding analysis reveals the boron layer in the network being bound by delocalized four-center two-electron $\sigma$ bonds. Finally, we suggest high-pressure could be a feasible route to synthesise two-dimensional borane.

5 pages, 3 figures, 1 table

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Cited by in corpus (1)

• Unveiling the Electric-current-limiting and Photodetection Effect in Two-dimensional Hydrogenated Borophene