Abstract
Measurements of the quadrupole splitting in the pyrite-structure compounds FeS2, Fe0.01Co0.99S2, and Fe0.01Ni0.99S2 are reported. These splittings, and those of the similar compounds FeS2, FeSe2, and FeTe2 of the marcasite structure, are shown to correlate well with the electric field gradient at the Fe site, calculated on the point-charge model. Deviations of the calculated quadrupole splitting from that observed in these compounds are in the directions to be expected from covalent effects and from distortion of the local environment of the Fe atoms.
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