Despite the large number of theoretical III-V semiconductor studies reported every year, our
atomistic understanding is still limited. The limitations of the theoretical approaches to yield
accurate structural and electronic properties on an equal footing, is due to the unphysical
self-interaction problem that mainly affects the band gap and spin-orbit splitting (SOC) in
semiconductors and, in particular, III-V systems with similar magnitude of the band gap and
SOC. In this work, we report a consistent study of the structural and electronic properties of …