TY - JOUR
T1 - High entropy alloy on single sub-lattice in MNiSn compound
T2 - Stability and thermoelectric properties
AU - Rabin, Daniel
AU - Meshulam, Aviv
AU - Fuks, David
AU - Gelbstein, Yaniv
N1 - Funding Information:
One of authors, Y.G. holds the Samuel Ayrton Chair in Metallurgy. The work was supported by the Israel Science Foundation ( ISF ) individual research grant No. 326/20 . The authors are thankful to Mr. Yair George for the help with the synthesis of the alloys and specimens’ preparation and to Dr. Dimitri Mogiliansky for the XRD analysis.
Publisher Copyright:
© 2021 Elsevier B.V.
PY - 2021/9/5
Y1 - 2021/9/5
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85104696747&partnerID=8YFLogxK
U2 - 10.1016/j.jallcom.2021.159940
DO - 10.1016/j.jallcom.2021.159940
M3 - Article
AN - SCOPUS:85104696747
SN - 0925-8388
VL - 874
JO - Journal of Alloys and Compounds
JF - Journal of Alloys and Compounds
M1 - 159940
ER -