Methods for Calculating the Band Structure

Summary

The concept of pseudopotential is presented. It is almost equivalent to the actual potential but without its strong singularity. The absence of singularity allows the solution to Schrödinger’s equation as a weighted sum of plane waves. Degenerate perturbation theory simplifies further the problem. Other methods for solving Schrödinger’s equation in periodic media, such as the so–called APW, KKR, and the k · p methods are briefly presented.