Date of Graduation

12-2021

Document Type

Thesis

Degree Name

Master of Science in Physics (MS)

Degree Level

Graduate

Department

Physics

Advisor/Mentor

Manasreh, Bothina H.

Committee Member

Nakamura, Hiro

Second Committee Member

Kumar, Pradeep

Keywords

waste heat; energy consumption; sustainability; semiconductors; spintronic

Abstract

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).

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