The electronic structure of CeFe₄{P}₁₂$ and ${CeFe}₄Sb₁₂ have been studied with density-functional calculations. Both are small band-gap semiconductors within the local-density approximation. The Ce is near trivalent in both compounds, and the Ce 4f states hybridize strongly with both Fe 3d and pnictogen p states in the vicinity of the Fermi energy. The band gaps are the result of this hybridization. {} 1996 The American Physical Society.
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Nordström et al. (1996) studied this question.
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