Energy Bands in Cubic Boron Nitride

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Abstract
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.