Theoretical calculations of electronic states in magnetic alloys of II-VI compounds with manganese (abstract)

The problem of the electrical and magnetic properties of manganese-doped II-VI semiconductors requires a detailed understanding of the electronic states and excited states of these materials.1 Information about such states has been obtained by using the LMTO method to calculate electronic energy bands and densities of states for various alloys of manganese with cadmium telluride, zinc telluride, and cadmium selenide as well as for manganese telluride and managese sellenide. These are based on ordered structures for 25%, 50%, and 75% concentration of manganese. Structures for paramagnetic, ferromagnetic, and antiferromagnetic ordering have been studied and information obtained concerning the p-d hybridization and spin-orbit interaction effects on states at the top of the valence band. Comparisons with ground-state properties and binding energies are presented along with those for excited states, optical data, and x-ray absorption. In addition comparisons with other theoretical work2 are made.