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

Content Provider	Europe PMC
Author	Asif, Muhammad Alrashdi, Ayash O Fadhali, Mohammed M. Afaq, A. Bakar, Abu
Copyright Year	2022
Abstract	The half-Heusler alloys have not only been recognizedfor spintronicand memory devices but also for thermoelectric applications. In thisresearch work, the detailed study for thermoelectric parameters ofRuCrX (X = Si, Ge, Sn) half-Heusler alloys has been carried out byusing the pseudopotential approach alongside the Boltzmann transporttheory. The RuCrX (X= Si, Ge, Sn) was reported stable in C1b-type structure by means of energy-volumeoptimization, elastic stability criteria, positive phonon frequenciesin phonon dispersion curves, and formation energies. The all importantthermoelectric properties of these alloys have not yet been explored.The thermoelectric properties such as Seebeck coefficient, electronicpart of thermal conductivity, electrical conductivity, and power factorhave been discussed within a specific temperature range (300–1200K). The calculated value of the power factor was found to be 5.11× 1011 W/(m K2 s) for RuCrSi, 3.42 ×1011 W/(m K2 s) for RuCrGe, and 1.85 ×1011 W/(m K2 s) for RuCrSn at 1200 K.
Journal	ACS Omega
Volume Number	7
PubMed Central reference number	PMC9753640
Issue Number	49
PubMed reference number	36530261
e-ISSN	24701343
DOI	10.1021/acsomega.2c05928
Language	English
Publisher	American Chemical Society
Publisher Date	2022-12-02
Access Restriction	Open
Rights License	Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/). © 2022 The Authors. Published by American Chemical Society
Content Type	Text
Resource Type	Article
Subject	Chemistry Chemical Engineering