Date of Award

Spring 2024

Project Type

Thesis

Program or Major

Materials Science

Degree Name

Master of Science

First Advisor

Jiadong Zang

Second Advisor

Sergey Pershoguba

Third Advisor

Carmela Amato-Wierda

Abstract

Permanent magnets are in electronic or other systems that are necessary in daily life. Rare earth metals are the common base elements for permanent magnets, but their availability on the global stage is unstable. MnBi is one material being considered to replace rare earth materials due to its high electron mobility and strong conductivity. A literature review on the topic revealed that MnBi has a large energy product, high Curie temperature, promising band structure, and other beneficial features. This review was based on experimental data and theoretical calculations that used a variety of approximations. It was determined that MnBi could not replace rare earth elements, but it could help lessen the demand. This study used density functional theory (DFT) calculations within Vienna Ab initio Simulation Package (VASP) to calculate magnetic properties of MnBi. The overall trends were the same with MnBi being a ferromagnet, having Mn d¬¬-state and Bi p-state being the most prominent in the band structure, and having the out of plane axis as the easy axis for magnetization. This study concurred with the belief that MnBi could not replace rare earth metals, but it is a strong candidate to fill the gap between the less powerful ferrite and the more powerful rare earth permanent magnets.

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