Conduction-band minima of InP: Ordering and absolute energies

Since the conduction-band structure of InP is still controversial, we perform an ab initio linear muffin tin orbital (LMTO) band structure calculation to obtain the valence bands with high accuracy. The LMTO is based on the local density approximation (LDA) which suffers from the well known ‘‘band-gap problem.’’ We therefore combine our calculated valence-band energies with carefully evaluated optical data from the literature and confirm the interconduction-band separation energies ΔEΓL=0.86±0.02 eV and ΔEΓX=0.96±0.02 eV. We also give new empirical local pseudopotential form factors adjusted to reproduce these experimental values.