Table 2 Bandgap values and types calculated for GeS ML, GeSe ML, GeS/GeSe XX, and GeS/GeSe XY using PBE and HSE06 funcionals.

From: Thermoelectric properties of XX- and XY-stacked GeS/GeSe van der Waals heterostructures from DFT and BTP calculations

Material

\(E_g^{PBE}\) (eV)

\(E_g^{HSE06}\) (eV)

Bandgap (PBE)

Bandgap (HSE06)

GeS ML

1.76 (1.6968, 1.6672)

2.49

Indirect

Indirect

GeSe ML

1.23 (1.1468, 1.1072)

1.80

Indirect

Indirect

GeS/GeSe XX

0.91

1.42

Indirect

Indirect

GeS/GeSe XY

1.02

1.34

Indirect

Indirect

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