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

Heusler type compounds have long been recognized as potential thermoelectric(TE) materials. Here, the experimentally observed TE properties of Fe$_{2}$VAlare understood through electronic structure calculations in the temperaturerange of $300-800$ K. The observed value of $S$ is $\sim-$138 $\mu$V/K at 300K. Then, the $|S|$ decreases with increase in temperature up to the highesttemperature with the value of $\sim-$18 $\mu$V/K at 800 K. The negative sign of$S$ in the full temperature window signifies the dominating $n$-type characterof the compound. The temperature dependent of electrical conductivity, $\sigma$(thermal conductivity, $\kappa$) exhibits the increasing (decreasing) trendwith the values of $\sim$1.2 $\times$ 10$^{5}$ $\Omega^{-1}$m$^{-1}$($\sim$23.7 W/m-K) and $\sim$2.2 $\times$ 10$^{5}$ $\Omega^{-1}$m$^{-1}$($\sim$15.3 W/m-K) at 300 K and 800 K, respectively. In order to understandthese transport properties, the DFT based semi-classical Boltzmann theory isused. The contributions of multi-band electron and hole pockets are found to bemainly responsible for the temperature dependent trend of these properties. Thedecrement of $|S|$ and increment of $\sigma/\tau$ $\&$ $\kappa_{e}/\tau$($\tau$ is relaxation time) with temperature is directly related with thecontribution of multiple hole pockets. Present study suggests that DFT basedelectronic calculations provide reasonably good explanations of experimental TEproperties of Fe$_{2}$VAl in the high temperature range of $300-800$ K.

Thermoelectric properties of Fe$_{2}$VAl at high temperature region: A combined experimental and theoretical study