Propriedades magnéticas de nanoestruturas de Pd adsorvidas em Fe/Ir(111).
In this work, we focus on the study of magnetic properties of a system composed by nanostructures of Pd on a Fe monolayer on Ir(111). We used the RS-LMTO-ASA (Real Space - Linear Muffin-Tin Orbital - Atomic Sphere Approximation) ab – initio method based on density functional theory (DFT). We have st...
| Autor principal: | WEYL, Artemísia de Souza |
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| Grau: | Trabalho de Conclusão de Curso - Graduação |
| Publicado em: |
2023
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| Acesso em linha: |
https://bdm.ufpa.br:8443/jspui/handle/prefix/6311 |
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In this work, we focus on the study of magnetic properties of a system composed by nanostructures of Pd on a Fe monolayer on Ir(111). We used the RS-LMTO-ASA (Real Space - Linear Muffin-Tin Orbital - Atomic Sphere Approximation) ab – initio method based on density functional theory (DFT). We have studied systems composed from one to seven atoms of Pd, with different geometries on the Fe/Ir(111) surface. The induced magnetic moment values on Pd varied from 0,35µB to 0,73µB. We have also calculated the exchange interaction on Pd-Fe atoms and the magnetic configuration of the systems, where we have found ferromagnetic states and non-collinear configurations, depending only on the system geometry. |