We report self-consistent, all-electron, local-spin-density calculations of energy bands of iron and cobalt pyrites (FeS₂ and CoS₂). We find FeS₂ to be a moderately small-band-gap semiconductor and CoS₂ to be an almost half-metallic ferromagnet. The predicted Fermi surface of CoS₂ is described.
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Zhao et al. (1993) studied this question.
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