Abstract
The epitaxial growth of PtSe2 monolayer has brings new opportunities for the application and development of materials science. Using first-principles calculations, the effect of vacancy defects, and strain engineering on the electronic properties of PtSe2 monolayer are systematically investigated. The results show that the Pt single vacancy induces a large magnetic moment of 4.0 μB on PtSe2 monolayer and transforms it from semiconductor to metal. However, the Se single vacancy systems are nonmagnetic and realize the PtSe2 from an indirect semiconductor to a direct one. Moreover, the band gap of PtSe2 monolayer can be prominently modulated within a appreciable uniaxial strain range, and the band gap are monotonically increase/decrease as decrease/increase the magnitude of the compressive/tensile strain. In particular, when a specific strain applied, a wide and high absorption peak across near-infrared, visible light and ultraviolet region. These findings not only enrich the fundamental understanding of PtSe2 monolayer but also provide useful guidance to design PtSe2-based spintronic, optoelectronic and gas sensing applications.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
