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CuIn5Se8 bulk single crystals were characterized using ellipsometry, photoluminescence (PL), and optical second harmonic generation (SHG). The refractive n(E) and absorption k(E) indices as functions of photon energy E are determined. The structure of the PL spectrum suggests the presence of the Cu-rich nonstoichiometric phases at the natural surfaces of the CuIn5Se8 sample. The best fit of the experimental SHG data is achieved by assuming that CuIn5Se8 belongs to the 4¯2m symmetry group. This result is in contradiction with x-ray analysis (6¯2m group), which testifies to the difference in surface and bulk structure.

Structural investigation of CuIn5Se8 single crystals by optical second harmonic generation, ellipsometry, and photoluminescence