Energy bands of copper chloride

The techniques developed in a preceding paper have been applied to compute the energy bands of CuCI. Results of calculations using Slater, screened Slater, and empirically modified Slater exchange potentials are presented. The valence bands are relatively sensitive to the choice of potential, but the conduction bands are not. The calculated valence bands agree rather well with various experimental data, and slight empirical modifications are suggested to yield even better agreement. The conduction band effective mass and the band gap deformation potential are also calculated and compared with experiment.