AUTHOR=Liu Kai , Bai Keke , Wang Jing , Song Juntao , Liu Ying TITLE=Phase-Dependent Epitaxy for Antimonene Growth on Silver Substrate JOURNAL=Frontiers in Physics VOLUME=Volume 10 - 2022 YEAR=2022 URL=https://www.frontiersin.org/journals/physics/articles/10.3389/fphy.2022.856526 DOI=10.3389/fphy.2022.856526 ISSN=2296-424X ABSTRACT=

Antimonene is a novel two-dimensional topological semiconductor material with a strain-driven tunable electronic structure for future electronic devices, but the growth of clean antimonene is not fully understood. In this work, the growth process of antimonene on the silver substrate has been studied in detail by using the density functional theory and particle swarm optimization algorithms. The results show that, in addition to the experimental reported flat honeycomb and β-phase antimonene, α-phase antimonene was observed to be able to grow on the 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 the substrate play an active role in the growth of antimonene.