Abstract
We have studied the vibrational modes and Raman spectra of P-doped Si nanocrystals using pseudopotential density functional theory and the Placzek approximation. We find that Si nanocrystal vibrations are largely unaffected by the introduction of P dopants. However, the Raman spectra of doped nanocrystals are enhanced relative to those of pristine nanocrystals, and demonstrate a strong dependence on dopant position. Thus, Raman has the potential of being developed as a tool for probing the location of the dopant within the nanocrystal. Our analysis shows that vibrational modes involving atoms in the vicinity of the dopant give the largest contributions to the Raman spectra.
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.