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

Abstract

AbstractAn 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.