English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

High lattice thermal conductivity in half-Heusler alloys has been the majorbottleneck in thermoelectric applications. Disordered half-Heusler alloys couldbe a plausible alternative to this predicament. In this paper, utilizingfirst-principles simulations, we have demonstrated the low lattice thermalconductivity in two such phases, NbFe$_{0.5}$Ni$_{0.5}$Sn andTaFe$_{0.5}$Ni$_{0.5}$Sn, in comparison to well-known half-Heusler alloyTiCoSb. We trace the low thermal conductivity to their short phonon lifetime,originating from the interaction among acoustic and low-lying optical phonons.We recommend nanostructuring as an effective route in further diminishing thelattice thermal conductivity. We further predict that these alloys can be bestused in the temperature range 400-600~K and carrier concentration of less than10$^{21}$ carriers cm$^{-3}$. We found $\sim$35\% and $\sim$17\% enhancement in$ZT$ for NbFe$_{0.5}$Ni$_{0.5}$Sn and TaFe$_{0.5}$Ni$_{0.5}$Sn, respectively,as compared to TiCoSb. We are optimistic of the findings and believe thesematerials would attract experimental investigations.

First-principles study of disordered half-Heusler alloys \textit{X}Fe$_{0.5}$Ni$_{0.5}$Sn (\textit{X} = Nb, Ta) as thermoelectric prospects