Enhancement of thermoelectric properties at room temperature through isoelectronic ruthenium-substitution in n -type half-Heusler VFeSb compounds
Source abstract
Abstract
The effects of ruthenium (Ru) substitution on the thermoelectric properties of half-Heusler (HH) V(Fe 1 − x Ru x )Sb compounds have been theoretically and experimentally investigated. All V(Fe 1 − x Ru x )Sb samples with deficient HH structures reveal deficiencies in V 4 a and Fe 4 c sites, interstitial Fe occupied 4 d sites, and Ru substituted for Fe 4 c sites, by Rietveld analysis. Based on the refined crystal structures and electronic structure analysis, the Ru content x with a maximum power factor (PF) is predicted to be around x = 0.02 . A small amount of Ru-substitution improves the PF by 26% at room temperature for the V(Fe 0.98 Ru 0.02 )Sb sample, which is coincident with the predicted range of Ru content for maximum PF. The lattice thermal conductivity κ L of the V(Fe 1 − x Ru x )Sb samples decreases with an increase in x . The atomic mass and radius of Ru are substantially larger than those of Fe; therefore, κ L of the V(Fe 1 − x Ru x )Sb samples decreases mainly due to phonon scattering strengthened by the introduction of Ru at the Fe 4 c sites. A significantly reduced κ L of 5.8 W/Km at room temperature is obtained for the V(Fe 0.92 Ru 0.08 )Sb sample, which is a ca. 40% decrease compared with the pristine HH-VFeSb sample. The dimensionless thermoelectric figure-of-merit reaches close to 0.2 at 300 K for the V(Fe 0.98 Ru 0.02 )Sb sample.
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Research context
OpenAlex topics: Advanced Thermoelectric Materials and Devices · Heusler alloys: electronic and magnetic properties · 2D Materials and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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