This commit is contained in:
@@ -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.
|
||||||
|
|||||||
Reference in New Issue
Block a user