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Spectroscopic ellipsometry was used to determine the pseudodielectric function  e = e1 + i e2 spectrum of a natural single crystal of iron pyrite (cubic FeS2) from 0.5 to 4.5 eV with the sample at 77 K. The  e spectrum exhibits several pronounced optical features associated with the interband critical points (CPs). Accurate CP energies are obtained by fitting standard line shapes to second energy derivatives of the  e data. The electronic origins of the six observed CP features are identified through density functional theory calculations and momentum matrix analyses.

Pseudodielectric function and critical-point energies of iron pyrite