Symmetry Breaking and Reversible Hydrogenation of Two-Dimensional Semiconductor Sn2Bi*

Abstract

The hydrogenation of two-dimensional (2D) systems can efficiently modify the physical and chemical properties of materials. Here we report a systematic study on the hydrogenation of 2D semiconductor Sn2Bi on Si(111) by scanning tunneling microscopy experiments and first principle calculations. The unique butterfly-like and trench-like features were observed for single H adsorption sites and hydrogen-saturated surfaces respectively, from which the bridge-site adsorption geometry can be unambiguously determined. The structural model was further confirmed by the theoretical calculations, which is in good agreement with the experimental observation. In addition, the hydrogenation is found to vanish the flat band of Sn2Bi and increase the band gap obviously.