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Monolayers of group VA elements have attracted great attention with therising of black phosphorus. Here, we derive a simple tight-binding model formonolayer grey arsenic, referred as arsenene (ML-As), based on thefirst-principles calculations within the partially self-consistent GW0approach. The resulting band structure derived from the six p-like orbitalscoincides with the quasi-particle energy from GW0 calculations with a highaccuracy. In the presence of a perpendicular magnetic field, ML-As exhibits twosets of Landau levels linear with respect to the magnetic field and levelindex. Our numerical calculation of the optical conductivity reveals that theobtained optical gap is very close to the GW0 value and can be effectivelytuned by external magnetic field. Thus, our proposed TB model can be used forfurther large-scale simulations of the electronic, optical and transportproperties of ML-As.

Tunable electronic and magneto-optical properties of monolayer arsenene from GW approximation to large-scale tight-binding simulations