WebApr 26, 2024 · First principles calculations are performed to investigate the thermodynamical stability, dynamical, mechanical, electronic and magnetic properties of … Web2 days ago · Phonon properties alongside mechanical and elastic parameters are presented to evaluate the material stability in practical applications. ... (M = V, Nb, Ta) half-Heusler alloys have noted more efficient thermoelectric performance than other well-known thermoelectric materials like PbTe and Bi 2 Te 3 ...
Half‐metallicity, magnetism, mechanical, thermal, and …
WebSep 28, 2024 · The magnetic structure, mechanical stability, and thermoelectric properties of quaternary VTiRhZ (Z = Si, Ge, Sn) Heusler alloys are investigated based on density functional theory (DFT). The calculations show that Y-type-I configuration is the most stable crystal structure for the studied alloys. The three alloys were found to have a half-metallic … WebFor the mechanical stability of cubic crystals, the following are the basic and sufficient requirements for the elastic constants. 50 The FeCrTiSn, FeCrTiSb, and FeCrZrSb alloys are elastically stable as indicated in Table 2 since predicted elastic constants satisfy the aforementioned constraints. csharp crop image
Advances in half-Heusler alloys for thermoelectric power …
WebDec 1, 2024 · NbFeSb based half-heusler thermoelectric materials have great potential in high-temperature energy harvesting. However, their conversion efficiency is limited by the low figure of merit zT, which is attributed to poor … WebAmong these mid-to-high temperature TE materials, half-Heusler-based compounds with the general formula XYZ ( X is usually the most electropositive transition metal element, Y is a less electropositive transition metal element, and Z is a main group element), such as n -type M NiSb-based ( M = Ti, Zr, Hf) and p -type M CoSb-based systems, have … WebApr 12, 2024 · In our work, we studied the effect of isotropic strain from −6% to 8% (compressive to tensile) on the Band gap, Elastic , Spin-polarization and Magnetic properties of Co 2 TiGe heusler alloy. We found that the half-metallicity (100% Polarization) is maintained under uniform strain from −2% to 4% but for the strain −4% to −6% the Spin … eachwick house