Theory of Brillouin Zones and Symmetry Properties of Wave Functions in Crystals

Abstract

It is well known that if the interaction between electrons in a metal is neglected, the energy spectrum has a zonal structure. The problem of these "Brillouin zones" is treated here from the point of view of group theory. In this theory, a representation of the symmetry group of the underlying problem is associated with every energy value. The symmetry, in the present case, is the space group, and the main difference as compared with ordinary problems is that while in the latter the representations form a discrete manifold and can be characterized by integers (as e.g., the azimuthal quantum number), the representations of a space group form a continuous manifold, and must be characterized by continuously varying parameters. It can be shown that in the neighborhood of an energy value with a certain representation, there will be energy values with all the representations the parameters of which are close to the parameters of the original representation. This leads to the well-known result that the energy is a continuous function of the reduced wave vector (the components of which are parameters of the above-mentioned kind), but allows in addition to this a systematic treatment of the "sticking" together of Brillouin zones. The treatment is carried out for the simple cubic and the body-centered and face-centered cubic lattices, showing the different possible types of zones.