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Table 1 Left, LDA calculated bandgaps (LMTO [36], Spin–Orbit effects included) for Γ, X L 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

From: On the Chemical Origin of the Gap Bowing in (GaAs)_1−xGe_2x Alloys: A Combined DFT–QSGW Study

	LDA BANDGAP (eV)			QSGW BANDGAP (eV)
	Γ	L	X	Γ		L		X
	Γ	L	X	QSGW	Exp	QSGW	Exp	QSGW	Exp
GaAs (dir.)	0.23	0.75	1.43	1.47	1.52^a	1.73	1.80^a	1.84	1.98^a
Ge (indir)	−0.22	−0.04	0.55	0.94	0.90^b	0.74	0.74^b	1.06	1.09^b

^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)

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