Table 1

Left, LDA calculated bandgaps (LMTO [36], Spin–Orbit effects included) for Γ, XL points for GaAs and Ge Right, QSGW bandgaps for the same points in Ge and GaAs (eV, 0 K), compared with measured values at 0 K. The self-energy was scaled by a factor 0.8, as described in the text. Raw (unscaled) QSGW levels are slightly larger than experiment
LDA BANDGAP (eV) QSGWBANDGAP (eV)
Γ L X Γ L X
QSGW Exp QSGW Exp QSGW Exp
GaAs (dir.) 0.23 0.75 1.43 1.47 1.52a 1.73 1.80a 1.84 1.98a
Ge (indir) −0.22 −0.04 0.55 0.94 0.90b 0.74 0.74b 1.06 1.09b

a Inferred from ellipsometry data in Ref. [45], using the QSGW Γ-X dispersion in the valence band (−3.37 eV)

b Inferred from ellipsometry data in Ref. [46], using the QSGW Γ-X dispersion in the valence band (−3.98 eV)

Giorgi et al.

Giorgi et al. Nanoscale Research Letters 2010 5:469-477   doi:10.1007/s11671-009-9516-2

Open Data