The study of the properties of magnetic materials is of primary importance in the development of newtechnologies. In this project, we aim to investigate the symmetries of some of the relevant properties ofa cobalt and platinum alloy that emerge from the symmetry of the crystal structure of the alloy. Morespecifically, our goal is to calculate the magnetocrystalline anisotropy energy (MAE) for various orientations of the magnetization. The MAE is computed through the implementation of density functionaltheory (DFT) via the open-source package OpenMX.The project consists of three main parts: Study on the convergence of the total energy of the systemas a function of some relevant parameters, computation of the energy, the spin magnetic moment andthe orbital magnetic moment as a function of the orientation of the magnetization, and a calculation ofthe magnetocrystalline anisotropy energy of the studied alloy.The studied system is an ordered compound of cobalt and platinum, with a tetragonal crystal structure.The easy axis of magnetization was found to be along the c-axis of the crystal, and defined accordinglytowards the z-axis in cartesian coordinates. The compound exhibits angular symmetry for the energy,the spin and orbital magnetic moments and the MAE, with a minimum energy along the easy axis ofmagnetization and a maximum at spherical angles θ=90◦ and ϕ=45◦. Looking at the plots for the MAE,this maximum can be interpreted as an energy barrier that must be surpassed in order to invert thedirection of the magnetization. Using an expression of the MAE in spherical angles, theoretical valuesfor the anisotropy constants K1, K2 and K3 are determined. / Computational Study of the Magnetocrystalline Anisotropy Energy of Ordered CoPt
| Identifer | oai:union.ndltd.org:UPSALLA1/oai:DiVA.org:uu-491350 |
| Date | January 2022 |
| Creators | Fusté Costa, Max |
| Publisher | Uppsala universitet, Materialteori |
| Source Sets | DiVA Archive at Upsalla University |
| Language | English |
| Detected Language | English |
| Type | Student thesis, info:eu-repo/semantics/bachelorThesis, text |
| Format | application/pdf |
| Rights | info:eu-repo/semantics/openAccess |
| Relation | FYSAST ; FYSPROJ1289 |
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