Electronic structures and thermoelectric properties of heavily doped n-type ZrCoBi from first principles calculations

Ibrahim, Nura; Ahmed, Ridwan; Huda, Adri; Ichwani, Reisya

doi:10.1016/j.mtcomm.2022.103908

Cited by 4 publications

(1 citation statement)

References 29 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Ni . Bi at 900 K [36]. Zhu et al announced the discovery the Half-Heusler of ZrCoBi with a huge TE conversion efficiency of ∼ 9%, which is computed at a wide temperature variation of about 500 K, and reached a good ZT amount of about 1.42 at 973 K [37].…”

Section: Introductionmentioning

confidence: 99%

Thermoelectric Properties Investigation of Ni/Co Doped ZrCoBi Half-Heusler Alloy

Al-Elaimi

2023

East Eur. J. Phys.

View full text Add to dashboard Cite

Half-Heusler (HH) thermoelectric (TE) composites have been extensively inspected due to their excellent TE properties in the medium- to high-temperature range. First-principle calculations make it easier to discover or improve more HH compounds. This article presents an ab initio theoretical evaluation of TE properties of Half-Heusler alloy, when doped with Nickel (Ni), using FP-LAPW and the semi classic Boltzmann theory. Thermoelectric parameters were calculated using BoltzTraP code, like Seebeck coefficient ( ), electrical conductivity to relaxation time ratio ( ), electronic thermal conductivity to relaxation time ratio ( ), thermoelectric power factor to relaxation time ratio ( ), and the dimensionless figure-of-merit ( ) in a temperature range of . Calculated Seebeck coefficient reveals that the studied alloys show a tendency to conduct as p-type with balanced TE performance between both charge carriers (holes and electrons). A high electronic thermal conductivity value is found, which predicts a potential use in heat sink applications for the investigated alloys. Obtained results, such as a high thermoelectric power factor and , postulate that alloys could have potential thermoelectric applications.

show abstract

Section: Introductionmentioning

confidence: 99%