Relativistic band structure and spin-orbit splitting of zinc-blende-type semiconductors

Zinc-blende-type semiconductors differ from their diamondlike counterparts by the absence of inversion symmetry. This produces a number of spin splittings and spin-orbit coupling effects which are absent in the latter. For instance, all states at a general k are split by spin-orbit interaction. Also, bonding and antibonding p-like states are coupled by the same interaction. Many of these effects are calculated here on the basis of the ab initio self-consistent fully relativistic linear-muffin-tin-orbital method. For a better understanding and interpretation of the results, semiempirical parametrized 1616 k calculations of several types are performed. Particular emphasis is placed on determining the signs of these splittings in an unambiguous manner. The results are compared with available experimental data of rather diverse origin.