Structure and electrical transport properties of the ordered skutterudites MGe1.5S1.5 (M=Co, Rh, Ir)

High-resolution powder neutron diffraction data collected for the skutterudites MGe1.5S1.5 (M=Co, Rh, Ir) reveal that these materials adopt an ordered skutterudite structure (space group R3¯), in which the anions are ordered in layers perpendicular to the [111] direction. In this ordered structure, the anions form two-crystallographically distinct four-membered rings, with stoichiometry Ge2S2, in which the Ge and S atoms are trans to each other. The transport properties of these materials, which are p-type semiconductors, are discussed in the light of the structural results. The effect of iron substitution in CoGe1.5S1.5 has been investigated. While doping of CoGe1.5S1.5 has a marked effect on both the electrical resistivity and the Seebeck coefficient, these ternary skutterudites exhibit significantly higher electrical resistivities than their binary counterparts.

The MGe1.5S1.5 phases exhibit an ordered skutterudite structure, in which the anions form diamond-like four-membered Ge2S2 rings.Figure optionsDownload as PowerPoint slide