New Method of Calculating Bulk and Surface States in Thin Films
Phys. Rev. Lett. 28, 1264 – Published 8 May, 1972
DOI: https://doi.org/10.1103/PhysRevLett.28.1264
Abstract
We describe a new method for calculating two-dimensional energy bands in thin films. The method has the advantage that the potential varies continuously between film and vacuum regions and may even be made self-consistent. A band calculation has been performed for a 13-layer (1,0,0) Li film. We display graphs of the charge density and of the wave function of a surface state found in the (½, ½, 0) energy gap.