First-Principles Investigation of Thermoelectric Properties of Half-Heusler Alloy NbFeTe

被引：0
|
作者：
G. S. AlGhamdi
Anuradha Saini
A. A. AlShaikhi
Ranjan Kumar
机构：
[1] King Abdulaziz University,Physics Department, Faculty of Science
[2] Rabigh College of Science and Arts,Physics Department
[3] King Abdulaziz University,Department of Physics
[4] Panjab University,undefined
来源：
Journal of Superconductivity and Novel Magnetism | 2022年 / 35卷
关键词：
Density functional theory; Electronic structure; Thermoelectric properties; Half-Heusler alloy;
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摘要：
In this work, we investigate the thermoelectric properties of half-Heusler (hH) alloy NbFeTe within the framework of the semi-classical Boltzmann transport theory in integration with the density functional theory. We have evaluated the elastic properties and phonons as well. Calculations have been performed to find relaxation time for both types of carriers. Thermal conductivity is evaluated by using the Callaway model. The lattice thermal conductivity in NbFeTe (~ 3.89 W/mK at 300 K) is significantly lowered in comparison to previously studied compound NbFeSb (22.0 W/mK at 300 K) by Fang et.al. A maximum ZT equal to 0.42 and 0.86 is obtained at 1300 K in n-type and p-type NbFeTe, respectively which highlight the potential of NbFeTe hH alloy for TE applications.
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页码：1 / 10
页数：9
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