Developing feature-rich electronic and magnetic properties in the β-As monolayer for spintronic and optoelectronic applications by C and Si doping: A first-principles study

In this work, the carbon (C) and silicon (Si) doping and codoping effects on β-arsenene (As) monolayer structural, electronic, and magnetic properties have been comprehensively investigated using first-principles calculations. The studied two-dimensional (2D) materials exhibit good stability. Pristine β-As single layer is an indirect gap semiconductor with a band gap of 1.867(2.441) eV as determined by PBE(HSE06) functional. Due to the...