Dirac cones in two-dimensional borane
Date Available
2017-11-21Type
datasetData Creator
Martinez-Canales, MiguelGaleev, Timur
Boldyrev, Alexander
Pickard, Chris
Publisher
University of Edinburgh. School of Physics and AstronomyMetadata
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Citation
Martinez-Canales, Miguel; Galeev, Timur; Boldyrev, Alexander; Pickard, Chris. (2017). Dirac cones in two-dimensional borane, 2012-2017 [dataset]. University of Edinburgh. School of Physics and Astronomy. https://doi.org/10.7488/ds/2250.Description
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 {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.The following licence files are associated with this item: