Table 1 Bandgap (eV units) of r-MX2 monolayers calculated using PBE, PBE+SOC, HSE06, HSE06+SOC, and G0W0+SOC.

From: Prediction of BiS2-type pnictogen dichalcogenide monolayers for optoelectronics

r-MX2 monolayer

PBE

PBE +SOC

HSE06

HSE06 +SOC

G0W0 +SOC

AsS2

1.25

1.17

1.92

1.91

2.01

AsSe2

0.96

0.88

1.54

1.51

2.06

AsTe2

0.52

0.48

0.98

0.83

1.38

SbS2

1.42

1.35

2.12

2.08

2.24

SbSe2

1.09

1.03

1.69

1.62

2.23

SbTe2

0.65

0.63

1.10

1.00

1.57

BiS2

1.47

1.04

2.20

1.87

1.84

BiSe2

1.17

0.76

1.81

1.45

1.82

BiTe2

0.70

0.26

1.19

0.73

0.83

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