First-principles prediction of high carrier mobility for β-phase MX₂N₄ (M = Mo, W; X = Si, Ge) monolayers.

ABSTRACT: The recently synthesized monolayer MoSi₂N₄ (Science 2020, 369, 367) exhibits exceptional environmental stability, a moderate band gap, and excellent mechanical properties, presenting exciting opportunities for the exploration of two-dimensional (2D) MX₂Z₄ materials. However, the low carrier mobility of α-phase MoSi₂N₄ significantly limits its potential applications in field-effect transistor (FET) devices. In this study, we systematically investigate the structural stability, elastic properties, and carrier mobility of a novel family of β-phase MX₂N₄ (M = Mo, W; X = Si, Ge) monolayers through first-principles calculations. Our findings reveal that these β-phase MX₂N₄ monolayers dem

SUBMITTER: Peng Y 

PROVIDER: S-EPMC11439929 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature