Halogen substitution-driven phonon softening and enhanced thermoelectric performance in vacancy-ordered Rb2SeX6 (X = Br and I) perovskites
Vacancy-ordered halide perovskites provide a promising platform for thermoelectric applications because of their soft lattices and intrinsically weak heat transport. Here, the thermoelectric properties of Rb2SeX6 (X = Br and I) were systematically investigated using first-principles calculations, temperature-dependent...