The thermoelectric properties of predicted semiconducting Ti2CrGe and Ti2

Magnetic Full-Heusler Compounds for Thermoelectric Applications

“…It has been revealed that full-Heusler compounds exhibit a variety of electronic properties; they exhibit the properties of semiconductors [9][10][11][12][13][14][15][16][17][18], spingapless semiconductors (SGSs) [19][20][21][22][23][24][25][26], semimetals [27][28][29], metals [30][31][32][33][34] and half-metals (HMs) [32,. Considering the magnetic properties, they have been reported to exhibit nonmagnetism [9][10][11][14][15][16][17][18], ferromagnetism [12, 19-24, 30-33, 36-46, 48-58, 61-66, 68-78], ferrimagnetism [13,30,35,47,59,60,67] and antiferromagnetism [25,26,34]. The full-Heusler, inverse Heusler and quaternary Heusler compounds obey the Slater-Pauling rule [79]…”

Study on Enhancing the Thermoelectric Properties of Ti2CrSn Alloys

“…The alloy Ti 0.75 HfMo 0.25 CrGe reached a ZT value of approximately 260 × 10 −3 at 723 K. The above-detailed studies indicate the scope of interest that research into full-Heusler-type materials has within the field of thermoelectrics. Furthermore, in 2016, Li et al [23] predicted, based on first principles and Boltzmann transport theory, that the full-Heusler alloy Ti 2 CrSn with an extranuclear valence electron number of 18 would have a significant band gap and good thermoelectric properties near the Fermi energy level in terms of electron density. In 2017, Li et al [24] employed another computational method to demonstrate the stability of the band gap in Ti 2 CrSn, which was found to be 0.23-0.25 eV.…”