Theoretical Investigations of the Structural, Dynamical, Electronic, Magnetic, and Thermoelectric Properties of CoMRhSi (M = Cr, Mn) Quaternary Heusler Alloys

• Published in: Crystals (Basel) Vol. 14; no. 1; p. 33
• Main Authors: Hzzazi, Abdullah, Alqurashi, Hind, Andharia, Eesha, Hamad, Bothina, Manasreh, M. O.
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 01.01.2024
• Subjects: ab initio investigations; Approximation; Crystal structure; Density functional theory; Energy; ferromagnetic; Ferromagnetism; Figure of merit; half-metallic; Heat conductivity; Heusler alloys; Magnetic moments; Magnetic properties; Mathematical analysis; Optimization; Polarization (spin alignment); quaternary Heusler; Relaxation time; Slack’s equation; Spintronics; Temperature; Thermoelectricity; transport coefficients; Transport theory

The structural, dynamical, electrical, magnetic, and thermoelectric properties of CoMRhSi (M = Cr, Mn) quaternary Heusler alloys (QHAs) were investigated using density functional theory (DFT). The Y-type-II crystal structure was found to be the most stable configuration for these QHAs. Both CoCrRhSi...