Carrier mobility in Janus WBAs X2 (X= S, Se, Te) governed by electron–phonon scattering: A first-principles study

Abstract

Two-dimensional materials have emerged as key candidates for next-generation electronic and optoelectronic applications due to their unique structural and electronic properties. Accurate evaluation of charge transport characteristics, particularly electron mobility, is essential for assessing their practical potential. In this work, we employ first-principles density functional theory to investigate the total electron mobility of Janus WBAs X2 (X = S, Se, Te) monolayers, taking into account multiple scattering mechanisms. Our findings show that Janus WBAs X2 monolayers are semiconductors with relatively low total electron mobility, primarily limited by acoustic deformation potential scattering. We also analyze their vibrational properties and predict their Raman activity, which will aid in experimental identification. Interestingly, these materials exhibit Rashba-type spin splitting in their electronic band structures, indicating potential for spintronic applications. This work provides a comprehensive understanding of the fundamental physical properties of Janus WBAs X2, highlighting their promise for future device technologies.