Real space pseudopotential calculations for the Raman spectra of doped Si and C nanostructures

ORAL

Abstract

We use a real-space pseudopotential method implemented within density functional theory to calculate Raman spectra for doped Si and C nanostructures. We examine the role of dopant location, local structure, and quantum confinement on the Raman spectra. We contrast these nanoscale spectra with those of bulk crystals.

*Our work is supported by the U.S. Department of Energy under grant No. DE-FG02-06ER46286. Computational resources were provided by NERSC.

Presenters

  • Joshua C Neitzel

    • University of Texas at Austin

Authors

  • Joshua C Neitzel

    • University of Texas at Austin
  • James Chelikowsky

    • Department of Physics, University of Texas at Austin
    • University of Texas at Austin