Electronic Band Structures of Ce₃Pt₃Sb₄and Ce₃Pt₃Bi₄

Abstract

One-electron energy band structures for Ce 3 Pt 3 X 4 (X=Sb and Bi), which belong to the valence fluctuation regime with an energy gap, are calculated by a self-consistent LAPW method with the local density approximation. The valence bands consist of the X p and the Pt 5 d states and the conduction bands are derived from the Ce 5 d states. With depressing the valence bands, the empty Ce 4 f bands are located between these bands and thus a narrow band gap appears at the Fermi level. This result explains reasonably the semiconductor-like property of these compounds.