Use of Phonon Confinement Model in Simulation οf Raman Spectra of Nanostructured Materials

• Authors: M. Grujić-Brojčin , M. Šćepanović , Z. Dohcević-Mitrović , Z. Popović
• Languages of publication: EN

Abstracts

EN

The simulation of the Raman spectra of nanostructured materials, where the effects of frequency shift and asymmetric broadening of the Raman modes play an important role, can be very useful in systematic characterization of these materials. Use of phonon confinement model for calculating Raman spectra of different nanomaterials is considered both from the viewpoint of different confinement function and the confinement strength, as well as the dimensionality of the confinement model. The phonon dispersion relations and the choice of their approximation are also studied. The influence of particle size distribution on the shape of the calculated spectra is discussed and contributions of Gaussian and asymmetric Gaussian distribution are compared. The effects of average and inhomogeneous strain on the behavior of simulated Raman spectra are also discussed. The results of the phonon confinement model are compared to the experimental spectra of CeO_2 and anatase TiO_2 nanopowders.

Keywords

EN

81.07.Wx; 78.30.-j; 63.22.-m; 07.05.Tp

Discipline

• 81.07.Wx: Nanopowders
• 63.22.-m: Phonons or vibrational states in low-dimensional structures and nanoscale materials
• 78.30.-j: Infrared and Raman spectra(for vibrational states in crystals and disordered systems, see 63.20.-e and 63.50.-x, respectively; for Raman spectra of superconductors, see 74.25.nd)
• 07.05.Tp: Computer modeling and simulation

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2009
• Volume: 116
• Issue: 1
• Pages: 51-54

Dates

published

2009-07

Contributors

author

M. Grujić-Brojčin

• Center for Solid State Physics and New Materials, Institute of Physics, Pregrevica 118, Belgrade 11080, Serbia

author

M. Šćepanović

• Center for Solid State Physics and New Materials, Institute of Physics, Pregrevica 118, Belgrade 11080, Serbia

author

Z. Dohcević-Mitrović

• Center for Solid State Physics and New Materials, Institute of Physics, Pregrevica 118, Belgrade 11080, Serbia

author

Z. Popović

• Center for Solid State Physics and New Materials, Institute of Physics, Pregrevica 118, Belgrade 11080, Serbia

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Identifiers

DOI

10.12693/APhysPolA.116.51