University of Illinois Urbana-Champaign

A study of the molecular behavior in the vibronic and excitonic properties of silicon nanoparticles

Rao, Satish Kodali

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https://hdl.handle.net/2142/31394

Description

Title
A study of the molecular behavior in the vibronic and excitonic properties of silicon nanoparticles
Author(s)
Rao, Satish Kodali
Issue Date
2006
Doctoral Committee Chair(s)
Nayfeh, Munir H.
Department of Study
Physics
Discipline
Physics
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
  • silicon nanoparticles
  • electrochemical etching
  • Raman Spectroscopy
  • General Atomic Molecular Electronic Structure System (GAMESS) Copmutation
Language
en
Abstract
The molecular behavior of silicon nanoparticles, produced via electrochemical etching of a bulk precursor, is studied. The smallest particle, 1 nrn in diameter, is amenable to first principles modeling due to the manageable number of atoms in the structure. The ability to produce these particles in macroscopic amounts allows for the testing of these models through various optical techniques. Raman spectroscopy measurements, performed on 1 nrn silicon nanoparticles suspended in liquid, were found to agree well with vibrational modes calculated using Hartree-Fock theory through the GAMESS package. The Raman peaks offer direct evidence of stretched Si-Si surface dimers in the reconstructed particle, which have been suggested to be the source of its optical activity. The peak positions and FWHM's, along with calculations of the normal modes, suggest that the nanoparticle exhibits strong molecular behavior despite its derivation from a bulk structure. Low temperature PL measurements show the involvement of the dimers in the luminescence characteristics.
Type of Resource
text
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http://hdl.handle.net/2142/31394
Copyright and License Information
©2006 Rao

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