Efficient band gap opening in single-layer stanene via patterned Ga-As codoping: Towards semiconducting nanoelectronic devices

Abstract Stanene is considered as an auspicious candidate for the design and exploitation of future prosperous electronic devices. The equilibrium structures and electronic behaviors of the Ga, As and Ga-As codoped stanene nanosheets were scrutinized to fully expedite the advances in the field of semiconducting materials technology. The formation energy calculations indicated that Ga/As doped/codoped stanene monolayers are thermodynamically stable. The variability of the band gap of the intrinsic stanene through codoping of Ga and As atoms was probed in detail. The emergence of band gap around the Fermi level of stanene was also accomplished by patterned Ga and As codoping. Thus, Ga-As codoped stanene behaves as a productive semiconductor material. Both Ga-doped and As-doped stanene nanosheets display metallicity because of the remarkable shifts in the position of Fermi level to the valence and conductance bands. The total charge density schemes indicate the formation of covalent bond between the Ga and As, as well as Ga/As and adjacent Sn atoms. As a result, Ga-As codoped stanene exhibits superior semiconducting behavior compared to the perfect system, and can be applied as a promising material for nanosensors and nanoelectronic devices.