Applied Physics 2019: Determination of mechanical, structural and thermodynamic properties of half-heusler compound (ZRPDPB) in solid state physics - Ogundola Sunday - University of Benin

摘要

Half-Heusler mixes are promising semi-transmitters which are harmless to the ecosystem and of minimal effort thermoelectric materials. They have a high figure of legitimacy. Half-Heusler (HH) amalgams are among the most encouraging novel thermoelectric (TE) materials expected for mid-to-high temperature power age applications. They are individuals from the immense group of Heusler compounds with the overall structure X2YZ, comprising of three interpenetrating face-focused cubics (fcc) sub-cross sections (Wang et al., 2016). Zirconium Lead Palladium (ZrPdPb) is one of the instances of the Half-Heusler combination that crystalizes in the face-focused cubic design with the space bunch F4-3m (Koller et al., 2009). In this work, the primary, mechanical and thermodynamic properties of ZrPdPb were researched by the main guideline counts utilizing Quantum Espresso that actualizes the Density Functional Theory (DFT).