Role of filler lanthanide ions on lattice dynamics of phosphide skutterudites RFe${}_4$P${}_{12}$ (R = La, Ce, and Pr) from first principles

Rafaela F. S. Penacchio, Nicholas Burns, Maurício B. Estradiote +3

Phosphide skutterudites primarily show promise for thermoelectric applications due to their chemical stability at high temperatures and relatively low cost. Ion doping and band gap…