Single-layer materials such as graphene and boron nitride promise alternative routes to electronic devices. Hybrid density functional calculations for single-layer boron pnictides boron nitride (BN), boron phosphide (BP), boron arsenide (BAs), and boron antimonide (BSb) show that these materials exhibit a direct bandgap of 6.1, 1.4, 1.2, and 0.6 eV, respectively, that originates from the energy difference of the p z orbitals of the species and is tunable by strain. The bandgap linearly decreases with strain for BN, while it increases non-linearly for BP, BAs, and BSb. The calculated natural band offsets between the various boron pnictides are all of type I.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)