Abstract
The structural, electronic and optical properties of MoSSe, PbS (111) and MoSSe/PbS (111) have been studied by the first-principles calculations, and the effect of VS on electronic and optical properties of MoSSe/PbS (111). When PbS (111) is stacked on MoSSe, an internal electric field and ohmic contact are formed at interlayer, and exhibited metal property. Compared with MoSSe and PbS (111) monolayer, MoSSe/PbS (111) heterostructure has higher absorption coefficients. Further analysis shows that this can be attributed to the orbital hybridization between the heterostructure layers. When VS is introduced, spin splitting occurs, making the spin-down channel below the Fermi level and inducing half-metallicity. What’s more, Vs MoSSe/PbS (111) still performances better optical absorption coefficient. Based on these findings, the heterogeneous structures and defects not only affect the electronic properties, but also can be used as an effective method to regulate the electrical and optical properties, providing useful theoretical guidance for further experimental studies.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.