论文标题
ma $ _2 $ _2 $ z $ _4 $（m = mo，w，ti; a = si，ge; z = n，p，as）
Quasiparticle band alignment and stacking-independent exciton in MA$_2$Z$_4$ (M = Mo, W, Ti; A= Si, Ge; Z = N, P, As)
论文作者
论文摘要
由最近合成的二维半导体mosi $ _2 $ n $ _4 $的动机，我们系统地研究了单层ma $ _2 $ _2 $ _2 $ _2 $ _4 $ _4 $ _4 $（m = mo，w，w，ti；与密度功能理论（DFT）的结果相比，我们的GW计算揭示了更明显的带隙和不同的绝对准粒子能量，但可以预测相同类型的频带比对。
Motivated by the recently synthesized two-dimensional semiconducting MoSi$_2$N$_4$, we systematically investigate the quasiparticle band alignment and exciton in monolayer MA$_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 the results from density functional theory (DFT), our GW calculations reveal substantially more significant band gaps and different absolute quasiparticle energy but predict the same types of band alignments.
