Energy Bands in Cubic Boron Nitride

Results of numerical calculations of the electronic band structure of cubic boron nitride are reported. The calculations have been carried out using the augmented-plane-wave method of Slater. A total of 20 points in the first Brillouin zone have been examined which, by symmetry, determine eigenvalues at 256 different points from which a density-of-states histogram and curve have been plotted. The general shape and configuration of the energy bands resemble those obtained in previous energy-band calculations. It proved necessary to use the average potential between the spheres and the Madelung correction for ionicity as adjustable parameters in order to obtain a satisfactory band picture. The potential used is a modification of the carbon potential of Keown scaled according to a scheme introduced by Herman and Skillman.