English

Dirac cones in Two-dimensional Borane

Materials Science 2017-12-01 v1

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 EfE_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 σ{\sigma} bonds. Finally, we suggest high-pressure could be a feasible route to synthesise two-dimensional borane.

Keywords

Cite

@article{arxiv.1711.09847,
  title  = {Dirac cones in Two-dimensional Borane},
  author = {Miguel Martinez-Canales and Timur R. Galeev and Alexander I. Boldyrev and Chris J. Pickard},
  journal= {arXiv preprint arXiv:1711.09847},
  year   = {2017}
}

Comments

5 pages, 3 figures, 1 table

R2 v1 2026-06-22T22:58:16.858Z