Phase-dependent epitaxy for antimonene growth on silver substrate

Abstract

Antimonene is a novel two-dimensional topological semiconductor material with strain driven tunable electronic structure for future electronic and spintronic devices, but the growth of clean antimonene is not fully understood. In this work, the growth process of antimonene on silver substrate has been studied in detail by using density functional theory and particle swarm optimization algorithms. The results show that, in addition to the experimental reported flat honeycomb and $\beta$-phase antimonene, $\alpha$-phase antimonene was observed to be able to grow on thus substrates, and the phases of antimonene were deeply dependent on the reconstructed supercells and surface alloys. It has been demonstrated that the surface alloys on substrate play an active role in the growth of antimonene.