Crystal Chemistry and Band Structures of the Group V Semimetals and the IV–VI Semiconductors

Abstract

Some simple facts regarding crystal structures and semiconducting vs semimetallic behavior of the Group V elements and the related Group IV–VI compounds are summarized. The simple chemical interpretation of these facts (based on three perpendicular p-bonding orbitals) is reviewed. This picture is reinterpreted in terms of a simple pseudopotential band model, which provides a deeper basis for understanding the simple chemical notions. The results of various band structure calculations are presented in detail in order to make explicit the direct relation between band and bond pictures as well as between crystal structures and semimetallic vs semiconducting behavior. The calculations also provide information as to probable locations of valence and conduction band edges.