Phenomenological model for Raman spectra calculating based on “bond charge” taking into account deformation and electro‐optical mechanisms, including Fröhlich scattering

An approach is proposed that combines the deformation and electro‐optical mechanisms of Raman scattering, including Fröhlich scattering. Eigenwavenumbers and eigenvectors of phonon modes with a given wave vector are calculated in the “bond charge” model. The Raman spectra were calculated using the W...

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Veröffentlicht in:Journal of Raman spectroscopy 2023-12, Vol.54 (12), p.1465-1472
Hauptverfasser: Sachkov, Victor A., Volodin, Vladimir A.
Format: Artikel
Sprache:eng
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Zusammenfassung:An approach is proposed that combines the deformation and electro‐optical mechanisms of Raman scattering, including Fröhlich scattering. Eigenwavenumbers and eigenvectors of phonon modes with a given wave vector are calculated in the “bond charge” model. The Raman spectra were calculated using the Wolkenstein additive polarizability model. The proposed approach has been tested for modeling the Raman spectra of short‐period GaAs/AlAs superlattices containing tens of atoms in a primitive cell, but can also be used to calculate the Raman spectra of various nanoobjects containing thousands of atoms in a primitive cell. The phenomenological approach has been proposed that combines the deformation and electro‐optical mechanisms of Raman scattering of light, as well as Fröhlich scattering. Eigenwavenumbers and eigenvectors of phonon modes with a given wave vector are calculated in the “bond charge” model. The Raman spectra were calculated using the Wolkenstein model of additive polarizability of the bonds. The proposed approach is used to simulate the Raman spectra of GaAs/AlAs superlattices and can be used for other nanostructures.
ISSN:0377-0486
1097-4555
DOI:10.1002/jrs.6595