Temperature Dependence of the Energy Gap in GaAs

Abstract

We show that a recent psuedopotential calculation overestimates the temperature dependence of the band gap in GaAs. We also calculate the individual contributions of the pseudopotential coefficients to the shift with temperature and find that the theoretical shift is dominated by ${V}_{11}^{s}$. Hence the disagreement between theory and experiment may result from the arbitrary truncation of the pseudopotential for ${G}^{2}>11$.