Raman spectra of the ordered vacancy compounds CuIn3Se5 and CuGa3Se5

Abstract
The optical vibrational modes of the ordered vacancy compounds CuIn3Se5 and CuGa3Se5 have been obtained by Raman spectra at various temperatures. The totally symmetric A1 mode appears around 155 and 167 cm−1 in CuIn3Se5 and CuGa3Se5, respectively. All the lines observed, except the B1 modes, present a reduction in their frequencies by about 10% as compared to the corresponding values in the CuInSe2 and CuGaSe2 chalcopyrites. This is due to the presence in these compounds of an array of vacancies occupying particular sites in the cation sublattice. These tend to relax the stretching forces thus reducing the vibrational frequencies.