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@@ -39,9 +39,9 @@ However, whether a mode is sufficiently strong to be experimentally visible
We propose a method to estimate the magnitudes of the Raman tensors of these phonons based on symmetry analysis. We propose a method to estimate the magnitudes of the Raman tensors of these phonons based on symmetry analysis.
This approach is founded on the assumption that the change in polarizability induced by atomic displacements in 4H-SiC This approach is founded on the assumption that the change in polarizability induced by atomic displacements in 4H-SiC
is mainly determined by two factors: first- and second-nearest neighbors of the atom, and the symbol of charge corresponding to the atom, is primarily determined by the first- and second-nearest neighbors of the atom and the sign of the atomic charge,
all other factors (mass, bond length, etc.) contribute only a small value. while other factors (mass, bond length, etc.) only have small contributions.
Consequently, As a result,
the phonon modes with the strongest Raman intensities can be predicted the phonon modes with the strongest Raman intensities can be predicted
prior to first-principles calculations and experiments, prior to first-principles calculations and experiments,
and the Raman tensors of the calculated phonon modes can be estimated without additional first-principles computations. and the Raman tensors of the calculated phonon modes can be estimated without additional first-principles computations.