Rashba spin splitting and phonon-limited carrier mobility in novel two-dimensional Janus ZCrBSe<sub>2</sub> (Z = N, P, As) materials.

Abstract

In this study, we employ density functional theory to systematically investigate the properties of novel Janus ZCrBSe₂ (Z = N, P, As) monolayers. These two-dimensional semiconductors are found to be dynamically and thermally stable and to possess narrow band gaps. Owing to their intrinsic structural asymmetry and the resulting breaking of out-of-plane inversion symmetry, spin-orbit coupling not only induces Zeeman-type spin splitting but also gives rise to pronounced Rashba-type spin splitting in all proposed Janus structures. Furthermore, we comprehensively analyze the role of different phonon scattering mechanisms in determining the carrier mobility. The results demonstrate that acoustic deformation potential scattering is the dominant limiting factor and plays a decisive role in setting the total carrier mobility over a wide range of conditions. Beyond intrinsic phonon scattering, carrier concentration is shown to have a significant impact on mobility behavior, particularly for ionized impurity scattering, whose associated mobility exhibits a strong dependence on carrier density. These findings highlight the intricate interplay between intrinsic lattice vibrations and extrinsic impurity effects in governing carrier transport in Janus two-dimensional materials.