Computational Search for Better Thermoelectric Performance in Nickel-Based Half-Heusler Compounds
Xiaorui Chen, Xin Zhang, Jianzhi Gao, Qing Li, Zhibin Shao, Haiping Lin, Minghu Pan
Abstract
and figure of merit of 0.309 are predicted for pristine half-Heusler NiVIn, which are larger than the values of some known pristine and doped half-Heusler TE materials. Our work opens up new avenues for rationally searching better TE materials among half-Heusler alloys for applications in fields requiring efficient thermoelectricity.
Topics & Concepts
Thermoelectric effectMaterials scienceNickelHeusler compoundMetallurgyThermodynamicsPhysicsMetalHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and DevicesIntermetallics and Advanced Alloy Properties