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

<p>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).</p>

Name thesis:degree_name

Master of Science in Physics (MS)

Level thesis:degree_level

Thesis

Year dc:date.available

2021

Author dc:creator

• Hzzazi, Abdullah Hussain

Advisor dc:contributor.advisor

• Manasreh, Bothina H.

Contributors dc:contributor

• Nakamura, Hiro
• Kumar, Pradeep

• waste heat
• energy consumption
• sustainability
• semiconductors
• spintronic
• Condensed Matter Physics
• Engineering Physics

Repository record dc:identifier

https://scholarworks.uark.edu/etd/4266

OAI identifier oai:identifier

oai:scholarworks.uark.edu:etd-5816