Date of Graduation
Master of Science in Physics (MS)
Bothina H. Manasreh
Second Committee Member
waste heat, energy consumption, sustainability, semiconductors, spintronic
Thermoelectric materials have potential properties for utilizing waste heat. The computations are used to estimate the electronic structure of CoRhYSi (Y = Cr, Mn) Quaternary Heusler alloys, as well as their elastic and magnetic characteristics. The full-potential linearized augmented plane wave is used in the calculations. The exchange-correlations are addressed using Perdew–Burke and Ernzerhof's generalized gradient approximation (GGA-PBE). With the exception of CoRhCrSi and CoRhMnSi, which are simple ferromagnets that are approximately half metallic in nature, electronic structure calculations demonstrate that these compounds have a gap in the minority states band and are obviously half-metallic ferromagnets. The magnetic moments of the CoRhCrSi and CoRhMnSi compounds match relatively well with the Slater-Pauling rule, indicating half metallicity and high spin polarization for these compounds. The semi-classical Boltzmann theory was used to compute the Seebeck coefficient (S), electrical conductivity (σ), and electronic thermal conductivity (k_e) of CoRhYSi (Y = Cr, Mn) alloys, whereas Slack's equation was used to get the lattice thermal conductivity (k_L).
Hzzazi, A. H. (2021). Theoretical Investigations of the Structural, Dynamical, Electronic, Magnetic, and Thermoelectric Properties of CoRhYSi (Y = Cr, Mn) Quaternary Heusler Alloys. Graduate Theses and Dissertations Retrieved from https://scholarworks.uark.edu/etd/4266