Crystal Structure, Magnetic, Electronic, and Thermal Transport Properties of Ternary Compounds REReB4 (RE = Ce, Gd–Er, Yb)

Abstract

AbstractRare‐earth rhenium borides REReB4 (RE = Ce, Gd–Er, Yb) were synthesized by various methods, including spark plasma sintering. They crystallize with the YCrB4 structure type (space group Pbam). The Tb, Ho, Er, and Yb representatives are Curie–Weiss paramagnets with the RE atoms in the +3 oxidation state, whereas the cerium atoms in CeReB4 are in the 4f0 configuration (oxidation state +4). Electronic‐structure calculations predict CeReB4 to be a metal with a density of states N(EF) = 1.6 states eV–1 f.u.–1 (f.u.: formula unit). Measurements of the transport properties confirm that REReB4 (RE = Ce, Tb, Ho) are metallic materials with low thermopowers and relatively high thermal conductivities.