Abstract
We have demonstrated that the middle-infrared (mid-IR) peaks in the optical conductivity spectra of Ce X 3 ( X =Pd, Sn, In) can be explained by first-principle band structure calculation with the spin–orbit interaction. The mid-IR peak shapes in these materials are not identical to one another: CePd 3 , CeSn 3 , and CeIn 3 have a triple-peak structure, a double-peak structure, and a broad single-peak structure, respectively. These peaks can be theoretically explained by the optical transition from the occupied state to the spin–orbit splitted Ce 4 f state. This result indicates that the mid-IR peaks originate from the simple band picture with the Ce 4 f state near the Fermi level, not from the conventional c f hybridization gap based on the periodic Anderson model.
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