High entropy alloy on single sub-lattice in MNiSn compound: Stability and thermoelectric properties

Daniel Rabin, Aviv Meshulam, David Fuks, Yaniv Gelbstein

Research output: Contribution to journalArticlepeer-review

Abstract

Half-Heusler (HH) High entropy alloy (HEA) MNiSn (M=Ti,Zr,Hf) with addition of Al and Sc in the M sub-lattice was studied. The micro-structure of (Ti0.33Zr0.33Hf0.33Al0.005Sc0.005)NiSn compound was examined and its transport properties were measured. The measurements showed the improvement of ~40% in the thermoelectric figure of merit in comparison with a similar composition of (Ti0.3Zr0.35Hf0.35)NiSn without Al and Sc. The thermodynamic stability of the alloy was examined using the HEA methodology, including a new proposed HEA parameter for multi-component alloying in only one sub-lattice of the compound. Ab-initio density functional theory (DFT) calculations were carried out to obtain the binary interaction parameters between the components in the sub-lattice of M atoms. The thermodynamic stability of the alloy as a function of the atomic fraction of the elements occupying the same sub-lattice in the compound is analyzed using the new HEA parameter.

Original languageAmerican English
Article number159940
JournalJournal of Alloys and Compounds
Volume874
DOIs
StatePublished - 5 Sep 2021

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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