Energy-Band Structures of Cd3As2 and Zn3As2

Abstract

The energy-band structures of ${\mathrm{Cd}}_3$ ${\mathrm{As}}_2$, ${\mathrm{Zn}}_3$ ${\mathrm{As}}_2$, and ${\mathrm{Cd}}_{1.2}$ ${\mathrm{Zn}}_{1.8}$ ${\mathrm{As}}_2$ in a hypothetical fluorite structure have been determined, employing the pseudopotential method. From these results a qualitative picture of the band-edge structure in real crystals is deduced. It is shown that many optical and transport phenomena can be interpreted using these energy-band structures.