Band structure of thin films by the linear augmented-plane-wave method

Abstract

We present a linear augmented-plane-wave method for solving the band-structure problem in thin crystalline films. The potential is separated into a muffin-tin potential inside the film, a potential depending exclusively on the normal coordinate outside the film, and corrections in both regions. The method is tested on (100) and (111) monolayers of Cu using a standard muffin-tin potential.