Semiempirical tight-binding electronic-energy-band structures of the following ${\mathrm{II}}_3$${\mathrm{V}}_2$ semiconductors are presented: ${\mathrm{Cd}}_3$${\mathrm{P}}_2$, ${\mathrm{Zn}}_3$${\mathrm{P}}_2$, ${\mathrm{Cd}}_3$${\mathrm{As}}_2$, and ${\mathrm{Zn}}_3$${\mathrm{As}}_2$. The zinc-blende approximation of the real crystal structure was used. The calculations were carried out within the nearest- and second-nearest-neighbor approximation and the single s and p atomic-orbital basis set. The tight-binding parameters were obtained empirically by fitting calculated density of valence states and reflectivity spectra to the empirical spectrum. The presented parametrization of the band structures provides an accurate representation of the valence bands and an adequate description of the lowest and most important conduction bands of ${\mathrm{II}}_3$${\mathrm{V}}_2$ semiconductors.

• Received 7 March 1994

DOI:https://doi.org/10.1103/PhysRevB.50.7331