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Motivated by the recently synthesized two-dimensional semiconductingMoSi$_2$N$_4$, we systematically investigate the quasiparticle band alignmentand exciton in monolayer MA$_2$Z$_4$ (M = Mo, W, Ti; A= Si, Ge; Z = N, P, As)using ab initio GW and Bethe-Salpeter equation calculations. Compared with theresults from density functional theory (DFT), our GW calculations revealsubstantially more significant band gaps and different absolute quasiparticleenergy but predict the same types of band alignments.

Quasiparticle band alignment and stacking-independent exciton in MA$_2$Z$_4$ (M = Mo, W, Ti; A= Si, Ge; Z = N, P, As)