Predicted electronic properties of zinc-blende Zn1−xMgxSe alloys

Based on the pseudopotential scheme, the electronic properties of zinc-blende Zn1−xMgxSe alloys have been predicted. The agreement between our calculated electronic band parameters and the available experimental data is generally reasonable. These parameters are found to depend non-linearly on alloy composition x. The electron valence and conduction charge densities derived from pseudopotential calculations for certain concentrations are also reported.