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

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Abstract
Single crystals of CuGa1-x Fe x S2 and CuAl1-x Fe x S2 have been grown by the chemical transport reaction. Crystals with x<x c were black while those with x≥x c were golden-colored, where x c=0.14 for CuGa1-x Fe x S2 and x c=0.12 for CuAl1-x Fe x S2 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.

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