Tuning the band gap of the InSe monolayer by substitutional doping

Indium Selenide (InSe) has attracted widespread attention due to its excellent optoelectronic properties. Bandgap engineering provides opportunities for the application of InSe materials in the field of optoelectronics. Herein, the substitution of dopant Te atoms for Se atoms in the InSe monolayers was investigated. It was found that substitutional doping can provide an effective way to adjust the electronic structure and improve the performance of InSe monolayer semiconductor. Accordingly, increasing the concentration of the Te dopant brings a transition from the indirect to the direct band gap. Specifically, the transition occurs when the Te concentration is around 33%. With the gradual increase of the Te concentration, the band gap increased initially and then decreased. The band gap reached a maximum of 1.64 eV at a Te concentration of 33.3% and then gradually decreased to 1.08 eV beyond the maximum dopant concentration. These results showcase the controllable and changeable band gap of the InSe semiconductor and open up a new way for the potential application of InSe as a competent candidate in optoelectronic devices.

Automated summary

Substitutional doping of Te atoms for Se atoms in InSe monolayers can effectively adjust the electronic structure, leading to a transition from indirect to direct band gap. The band gap reaches a maximum of 1.64 eV at a Te concentration of 33.3% before gradually decreasing to 1.08 eV.