Magnetic properties of transition metal surfaces and GaAs-Fe heterogeneous systems

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The aim of magnetoelectronics is to develop smaller magnetic storage devices and microchips that utilize both charge and spin. A key concept is tunneling magnetoresistance (TMR). Theoretical work focuses on explaining experimental results and investigating the properties and design of new devices. Essential for magnetic device performance is understanding the direction of spontaneous magnetization (the easy axis) and the energy needed to change this direction, known as magnetic anisotropy energy (MAE). This anisotropy arises from the interaction between magnetization and the crystal lattice, specifically through spin-orbit coupling. A fully-relativistic approach to the tight-binding Korringa-Kohn-Rostoker (TB-KKR) method was introduced to address this in the first part of the study. The second part examined the in-plane magnetization of Fe surfaces and the magnetic properties of Fe clusters, providing a systematic comparison. The third part focused on FePt surface systems with significant out-of-plane magnetic anisotropy. Finally, the study presented a detailed analysis of the magnetic anisotropy in thin Fe films on (001) oriented GaAs, revealing in-plane anisotropy with the easy axis along the [110]-direction. The effects of Au protective layers on the magnetic properties of GaAs/Fe were also discussed, alongside a comparison of theoretical and experimental results regarding spin and orbital magnetization in Co markers on Fe