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

Double half-heusler alloys are the new class of compounds which can be seenas transmuted version of two single half-heusler with higher flexibility oftuning their properties. Here, we report a detailed study of thermoelectric(TE) properties of two double half-heusler (HH) alloys X$_2$Ni$_2$InSb(X=Hf/Zr), using first-principles calculation. These alloys exhibit a richphase diagram with the possibility of tetragonal, cubic and solid solutionphase at different temperature range. As such, a comparative study of TEproperties of all these phases is performed. The ordered phases show quitefavorable electronic transport as compared to the disordered ones in bothcompounds. Lattice thermal conductivity of double HH alloys is lower than theirternary counter-part, making them most promising for TE application. Simulatedband gap, obtained using hybrid functional, of ordered phases ofHf$_2$Ni$_2$InSb and Zr$_2$Ni$_2$InSb lie in the range 0.24-0.4 eV and0.17-0.59 eV respectively, while for disordered phase, it is 0.05- 0.06 eV.Hf$_2$Ni$_2$InSb shows a reasonably high ZT value of $\sim$ 2.19, whileZr$_2$Ni$_2$InSb yields 2.46 at high temperature for n-type conduction intetragonal phase. The ZT value for p-type conduction is also quite promising($\sim$ 1.35 and $\sim$ 2.19 for Hf- and Zr-based compounds). In both thecompounds, electronic transport (Seebeck and electrical conductivity) plays thedominant role for the high ZT-value. Keeping in mind the promising TEperformance, we propose immediate attention from experimentalists to synthesizeand cross validate our findings for these new candidate materials.

Double Half-Heusler Alloys X$_2$Ni$_2$InSb (X= Zr/Hf) with promising Thermoelectric Performance: Role of varying structural phases