Spin Splitting in Semiconductors—Predictions of Relativistic Exact Exchange Density Functional Theory

Abstract

We present first‐principles studies of the zero field spin splitting of conduction and valence bands in GaAs based on the relativistic exact exchange density functional theory and compare these results to predictions of the standard local density approximation. The calculations reveal that the correct calculation of the energy gap is a prerequisite of the correct predictions of the Dresselhaus constant.