First-principles study of electronic structure and thermoelectric properties of p-type XIrSb(X = Ti, Zr and Hf) half-Heusler compounds

Exploring structural, mechanical, and thermoelectric properties of half-Heusler compounds RhBiX (X = Ti, Zr, Hf): A first-principles investigation

“…Similar SOC effects on thermoelectric properties have been identied in other HH materials. 27,58,59 Therefore, the SOC effect is considered in subsequent thermoelectric properties calculations conducted herein.…”

Electronic Structure-, Phonon Spectrum-, and Effective Mass- Related Thermoelectric Properties of PdXSn (X = Zr, Hf) Half Heuslers

“…M.K. Bamgbose investigated the thermoelectric properties of XIrSb (X = Ti, Zr, Hf) and found that ZT = 0.87, 0.95, and 0.90 for TiIrSb, TrIrSb, and HfIrSb at 800 K, respectively [ 25 ]. Fang et al [ 26 ] have reported that due to large band degeneracy and low effective mass, the value of ZT = 1.5 at 1200 K for RuTaSb half Heusler.…”

Recent advances in designing thermoelectric materials

“…2 shows the maximum ZT achieved for bulk thermoelectric materials over the past six years as a function of temperature. 33–234…”