Table 4 Layer-dependent GW band gap correction (ΔΣ) (to the direct gap at the K point), binding energy of the A exciton (\(E_{bind}^A\)), and optical gap (\(E_g^{opt}\)) of MoSi2N4. (in eV).

From: Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSi2N4

 

Monolayer

Bilayer

Bulk

GW correction ΔΣ

1.10

0.85

0.61

A-exciton binding energy \(E_{bind}^A\)

0.63

0.40

0.12

\(\Delta \Sigma - E_{bind}^A = E_g^{DFT} - E_g^{opt}\)

0.47

0.45

0.49

\(E_g^{opt}\)

2.50

2.53

2.59

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