Electronic structure of ScN, YN, LaN and GdN superlattices

Using the plane wave version of the full potential linear muffin-tin orbital (FPLMTO) method, which enables an accurate treatment of the interstitial regions, the electronic properties of ScN, YN, LaN and GdN rocksalt/rocksalt superlattices are calculated. It is found that apart from YN/ScN, all the other superlattices have negative bandgaps. However, it is shown that these systems can be semiconductors if a correction is made to the local density approximation (LDA).