Figure 1.

Fully-relativistic LMTO-ASA within LDA band structures of AlAs and GaAs. The band structures of AlAs and GaAs are plotted with dashed red line and solid blue line, respectively. The valence band offset is 0.36 eV, the GaAs direct band gap is 0.53 eV, the AlAs direct (Γ-Γ) and indirect (fundamental) gaps are 2.22 eV and 1.25 eV, respectively. The conduction band offset (Γ-X) is 0.37 eV.