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

References in corpus (16)

• Electric Field Effect in Atomically Thin Carbon Films
• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Two-Dimensional Gas of Massless Dirac Fermions in Graphene
• Phonons and related properties of extended systems from density-functional perturbation theory
• Control of graphene's properties by reversible hydrogenation
• Graphane: a two-dimensional hydrocarbon
• Topological quantum chemistry
• Ab initio Random Structure Searching
• Novel Precursors for Boron Nanotubes: The Competition of Two-Center and Three-Center Bonding in Boron Sheets
• High-pressure phases of silane
• Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions
• Dirac fermions in borophene
• Density functional theory study of phase IV of solid hydrogen
• Decomposition and terapascal phases of water ice
• Dirac cones beyond the honeycomb lattice: a symmetry based approach
• Prediction of Anisotropic Single-Dirac-Cones in Bi${}_{1-x}$Sb${}_x$ Thin Films

Cited by in corpus (3)

• Unveiling the Electric-current-limiting and Photodetection Effect in Two-dimensional Hydrogenated Borophene
• Strain-tunable Dirac semimetal phase transition and emergent superconductivity in a borophane
• Cat's cradle-like Dirac semimetals in layer groups with multiple screw axes: Application to 2D Borophene and Borophane