Electronic Structure and Properties of Boron Phosphide and Boron Arsenide

The composite wave variational version of the APW method is used to obtain the electronic band structure of the compounds boron phosphide and boron arsenide at the high symmetry points Γ, X, and L. The tight binding interpolation scheme of Slater and Koster is used to calculate the rest of the band structure. The results show that both these materials are indirect band gap semiconductors. The density of states, and the imaginary part of the dielectric constant is also calculated. The theoretical results are compared with the reported experimental and theoretical data.