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Effect of Delocalization of d-Electrons on the Optical Reflectivity Spectra of CuGa1-xFexS2 and CuAl1-xFexS2 Systems

Single crystals of CuGa1-xFexS2 and CuAl1-xFexS2 have been grown by the chemical transport reaction. Crystals with x<xc were black while those with x≥xc were golden-colored, where xc=0.14 for CuGa1-xFexS2 and xc=0.12 for CuAl1-xFexS2 Optical reflectivity spectra of these crystals have been measured using a microcomputer-controlled reflectance spectrometer. The difference between black and golden crystals is quantitatively characterized; reflectivity at 1.5–3 eV region of the golden crystals is much higher than the black crystals. Absorption spectra obtained by the Kramers-Kronig analysis reveal that this reflectivity enhancement is associated with the broadening of d-orbital energies due to delocalization.