The non-simple metal character of the electronic structure in compounds of the LaSn₃ type

Abstract

In this paper we show that a simple metal description of the electronic states in compounds of the LaX3 type is not tenable. We perform energy band calculations using a simple model potential and obtain the density of states using a version of the Gilat-Raubenheimer k-space integration scheme due to Janak. These calculations show that the picture of a nearly free electron sphere expanding through Brillouin Zone boundaries as the valence of X is changed cannot give oscillations in the density of states at the Fermi surface in accord with experiment. For any simple metal potential the oscillations in a plot of N(EF) vs. electron concentration will be smaller than those observed and in the wrong location. © 1972.