Electronic and structural properties of cubic BN and BP

Abstract
The present work employs the total-energy pseudopotential technique within the local density approximation to determine the electronic structure and the full set of elastic constants of cubic BN which have not been directly established experimentally. We obtain C11=8.44, C12=1.9, and C44=4.83 Mbar and we find that a cutoff of 160 Ry is needed to have converged results. We also present a study of the electronic band structure of BP and c-BN.