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Full-Text Articles in Physics
First-Principles Studies Of Anion Engineering In Functional Ceramics, Steven Timothy Hartman
First-Principles Studies Of Anion Engineering In Functional Ceramics, Steven Timothy Hartman
McKelvey School of Engineering Theses & Dissertations
Ceramic materials display a wide variety of valuable properties, such as ferroelectricity, superconductivity, and magnetic ordering, due to the partially covalent bonds which connect the cations and anions. While many breakthroughs have been made by mixing multiple cations on a sublattice, the equivalent mixed-anion ceramics have not received nearly as much attention, despite the key role the anion plays in the materials’ properties. There is great potential for functional ceramics design using anion engineering, which aims to tune the materials properties by adding and removing different types of anions in existing classes of ceramic materials. In this dissertation, I present …
Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study, Sahil Dhoka
Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study, Sahil Dhoka
Dissertations, Master's Theses and Master's Reports
First-principles calculations are performed on γ-FeSi2 nanostructures grown on Si (111) and (001) substrate. An attempt to explain the origin of emergent magnetic properties of the metastable gamma phase of iron di-silicide (γ-FeSi2) is made, which show ferromagnetic behavior on nanoscale, unlike its possible bulk form. Many papers try to explain this magnetism from factors like bulk, epitaxial strain, interface, surface, edges, and corners but doesn’t provide an analytical study for these explanations. Density functional theory is used to analyze the magnetic effects of these factors. The results for the epitaxial structures show no magnetic behavior for …