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.
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Presenters
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Joshua C Neitzel
- University of Texas at Austin