The use of general potentials in the band structure calculation

Abstract

The muffin tin model of band structure and scattering theory can be modified to include a more general class of potential than the spherical kind usually employed in such models. It is shown how the generalization of the actual band structure calculations can be carried out once the solution of a set of coupled differential equations is known inside the muffin tin spheres. The importance of such generalizations to covalent materials is discussed.