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Antimonene is a novel two-dimensional topological semiconductor material withstrain driven tunable electronic structure for future electronic and spintronicdevices, but the growth of clean antimonene is not fully understood. In thiswork, the growth process of antimonene on silver substrate has been studied indetail by using density functional theory and particle swarm optimizationalgorithms. The results show that, in addition to the experimental reportedflat honeycomb and $\beta$-phase antimonene, $\alpha$-phase antimonene wasobserved to be able to grow on thus substrates, and the phases of antimonenewere deeply dependent on the reconstructed supercells and surface alloys. Ithas been demonstrated that the surface alloys on substrate play an active rolein the growth of antimonene.

Phase-dependent epitaxy for antimonene growth on silver substrate