Electric Field‐Induced Phase Transition on HPX6 (X = C, Si, Ge, Sn) Monolayers

Abstract

Herein, the electronic, thermoelectric, and optical properties of semimetallic HPX6 (X = C, Si, Ge, Sn) monolayers are systematically studied under the influence of external electric field in the framework of density functional theory. A band tuning has been achieved in these structures by the application of an external electric field of appropriate strength. It is predicted that Dirac cone splitting is nearly proportional to the external electric field strength. The modulation of electric properties induced by external field can alter the position of chemical potential in the band diagram and brings significant improvement in thermoelectric responses. The application of an external electric field significantly modulates the optical properties. The electric field‐induced HPX6 system provides better thermoelectric and optical response for nanodevice applications.