First-principles study on electronic structure and optical properties of monolayer Janus PtSTe under external electric field and strain
Physics Department, Faculty of Science, King AbdulAziz University, 21589, Jedda, Saudi Arabia
Accepted: 22 November 2021
Published online: 1 December 2021
In this study, we investigated the electronic and optical properties of a Janus PtSTe monolayer under the effect of an external electric field and biaxial strain. Monolayer PtSTe was found to be a semiconductor with an indirect band gap of 0.93 eV. For compressive strain, the band gap of PtSTe decreased to −8% strain, where a semiconductor to semimetal phase transition took place. Under tensile strain, the PtSTe band gap increased up to 2% strain, and for greater strain, the band gap started to decrease. Interestingly, at strain 8%, a quasi-direct band gap was observed. A negative external electric field decreases the band gap continuously, whereas a positive field increases the band gap. The absorption intensity of monolayer PtSTe was significantly altered by biaxial strain, while it was almost unaffected by the external electric field. Our results provide information about the flexibility of tuning the electronic and optical properties of this material for different technological applications.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2021