Pseudodielectric Function and Critical-Point Energies of Iron Pyrite

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    Spectroscopic ellipsometry was used to determine the pseudodielectric function e=e1 + ie2 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.
    Original languageAmerican English
    Number of pages5
    JournalPhysical Review B
    Issue number11
    StatePublished - 2012

    NREL Publication Number

    • NREL/JA-5200-55435


    • crystal
    • interband critical points
    • iron pyrite
    • optical features
    • solar cells


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