Tuning the structural and electronic properties of arsenene monolayers by germanene, silicene, and stanene domain doping

Abstract

Abstract Inspired by the huge number of investigations on the applications of two-dimensional materials in nanoscale electronic devices, we examined the equilibrium structures and electronic properties of arsenene nanosheets doped with different domains of silicene, germanene, and stanene. In this regard, we replaced one hexagonal ring of arsenene with Si, Ge and Sn atoms to obtain the novel hybrid nanomaterials with unique properties. Due to the larger buckling parameter of arsenene compared to the silicene and germanene, the Si and Ge domains show less protrusion out of the surface of arsenene. On the other hand, since the Sn atom has higher atomic radius than the As atom, the protrusion observed for stanene domain in the arsenene structure will be greater. The band structure calculations show that the considered supercell of arsenene is semiconductor. The Si, Ge, and Sn domain doped monolayers also exhibit semiconductor feature, although they have narrower energy band gaps than the perfect arsenene system. Our theoretical computation would offer valuable insights into the domain doping influence on the geometric and electronic properties of the arsenene monolayer, and shed light on the application of Si-, Ge-, and Sn domain doped arsenene systems for the future nanoelectronic devices.