The electronic structure of the α-boron-nitride phase of ZnO has been studied using hybrid functionals as well as local density approximation with Hubbard U (LDA + U) calculations. An indirect bandgap of 3.54 eV has been found in hybrid functional calculations, which transforms to a direct bandgap under uniaxial strain in the c-direction. This behavior also explains the observation of a direct bandgap at the monolayer limit. Similar trends are obtained from LDA + U calculations, and a U value of 8 eV is required to get agreement with experiment for the position of the Zn d-states. Hybrid functional calculations are found to underestimate the position of the Zn d-states in the valence band.
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