First-Principles Investigations of Thermoelectric Behavior of RuCrX (X = Si, Ge, Sn).

Autor: Asif M; Department of Physics, COMSATS University Islamabad, Lahore Campus, Lahore, 54000, Pakistan., Alrashdi AO; King Abdulaziz City for Science and Technology, Riyadh, 11442, Saudi Arabia., Fadhali MM; Department of Physics, Faculty of Science, Jazan University, Jazan, 45142, Saudi Arabia.; Department of Physics, Faculty of Science, Ibb University, Ibb, 70270Yemen., Afaq A; Centre of Excellence in Solid State Physics, University of the PunjabLahore, 54000, Pakistan., Bakar A; Centre of Excellence in Solid State Physics, University of the PunjabLahore, 54000, Pakistan.
Jazyk: angličtina
Zdroj: ACS omega [ACS Omega] 2022 Dec 02; Vol. 7 (49), pp. 45353-45360. Date of Electronic Publication: 2022 Dec 02 (Print Publication: 2022).
DOI: 10.1021/acsomega.2c05928
Abstrakt: The half-Heusler alloys have not only been recognized for spintronic and memory devices but also for thermoelectric applications. In this research work, the detailed study for thermoelectric parameters of RuCrX (X = Si, Ge, Sn) half-Heusler alloys has been carried out by using the pseudopotential approach alongside the Boltzmann transport theory. The RuCrX (X= Si, Ge, Sn) was reported stable in C 1 b -type structure by means of energy-volume optimization, elastic stability criteria, positive phonon frequencies in phonon dispersion curves, and formation energies. The all important thermoelectric properties of these alloys have not yet been explored. The thermoelectric properties such as Seebeck coefficient, electronic part of thermal conductivity, electrical conductivity, and power factor have been discussed within a specific temperature range (300-1200 K). The calculated value of the power factor was found to be 5.11 × 10 11 W/(m K 2 s) for RuCrSi, 3.42 × 10 11 W/(m K 2 s) for RuCrGe, and 1.85 × 10 11 W/(m K 2 s) for RuCrSn at 1200 K.
Competing Interests: The authors declare no competing financial interest.
(© 2022 The Authors. Published by American Chemical Society.)
Databáze: MEDLINE
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