Electronic structure and thermoelectric properties of full Heusler compounds Ca₂YZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb)

Abstract

We investigate the transport properties of bulk Ca2YZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb) by a combination method of first-principles and Boltzmann transport theory.

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

“…Several techniques, such as electron-hole doping [ 3 , 4 ], strain engineering, forming a layered structures, effect of resonant levels [ 5 ], etc., have been used to enhance the value of ZT. The various efficient bulk thermoelectrics include Heusler materials [ 6 , 7 , 8 , 9 ], phonon glass and electron crystals (PGEC) [ 10 , 11 ], pentatellurides [ 12 ], clathrates [ 13 ], chalcogenides [ 14 ], skutterudite [ 15 ], oxides [ 16 ], and tin selenide [ 17 ], etc., which have low thermal conductivity and high electrical properties.…”

Rhodium-based half-Heusler alloys as thermoelectric materials

“…The optimum ZT values of p-type (n-type) RhTiP, RhTiAs, RhTiSb, and RhTiBi are 0.44 (0.38), 0.47 (0.46), 0.67 (0.58), and 0.98 (0.91), respectively at 1200 K. These values of ZT are lower than those for the state-of-the-art TE materials 11,29,31 but are comparable to several other works done on Heusler alloys. 32,42,71 Thus, these Rh-based hH alloys are promising candidates for use as both p-type and n-type elements in TE devices.…”

Rhodium based half-Heusler alloys as possible optoelectronic and thermoelectric materials

“…The optimum ZT values of p-type (n-type) RhTiP, RhTiAs, RhTiSb, and RhTiBi are 0.44 (0.38), 0.47 (0.46), 0.67 (0.58), and 0.98 (0.91), respectively at 1200 K. These values of ZT are lower than those for the state-of-the-art TE materials, 10,25,27 but are comparable to several other works done on Heusler alloys. 28,38,70 Thus, these Rh-based hH alloys are suitable candidates for use as both ptype and n-type elements in TE devices.…”