Charge-doping and chemical composition-driven magnetocrystalline anisotropy in CoPt core-shell alloy clusters
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Charge-doping together with 3d-4d alloying emerges as promising mechanisms for tailoring the magnetic properties of low-dimensional systems. Here, throughout ab initio calculations, we present a systematic overview regarding the impact of both electron(hole) charge-doping and chemical composition on the magnetocrystalline anisotropy (MA) of CoPt core-shell alloy clusters. By taking medium-sized ConPtm (N = n m = 85) octahedral-like alloy nanoparticles for some illustrative core-sizes as examples, we found enhanced MA energies and large induced spin(orbital) moments in Pt-rich clusters. Moreover, depending on the Pt-core-size, both in-plane and off-plane directions of magnetization are observed. In general, the MA of these binary compounds further stabilizes upon charge-doping. In addition, in the clusters with small MA, the doping promotes magnetization switching. Insights into the microscopical origins of the MA behavior are associated to changes in the electronic structure of the clusters. © 2018, Springer Science Business Media B.V., part of Springer Nature.
Charge-doping together with 3d-4d alloying emerges as promising mechanisms for tailoring the magnetic properties of low-dimensional systems. Here, throughout ab initio calculations, we present a systematic overview regarding the impact of both electron(hole) charge-doping and chemical composition on the magnetocrystalline anisotropy (MA) of CoPt core-shell alloy clusters. By taking medium-sized ConPtm (N = n %2b m = 85) octahedral-like alloy nanoparticles for some illustrative core-sizes as examples, we found enhanced MA energies and large induced spin(orbital) moments in Pt-rich clusters. Moreover, depending on the Pt-core-size, both in-plane and off-plane directions of magnetization are observed. In general, the MA of these binary compounds further stabilizes upon charge-doping. In addition, in the clusters with small MA, the doping promotes magnetization switching. Insights into the microscopical origins of the MA behavior are associated to changes in the electronic structure of the clusters. © 2018, Springer Science%2bBusiness Media B.V., part of Springer Nature.
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Ab initio calculations; Binary nanoalloys; Charge-doping; CoPt core-shell alloy clusters; Magnetic anisotropy; Modeling and simulation Anisotropy; Binary alloys; Bins; Calculations; Cobalt alloys; Electronic structure; Magnetic anisotropy; Magnetization; Magnetocrystalline anisotropy; Platinum; Shells (structures); Ab initio calculations; Alloy cluster; Charge doping; Model and simulation; Nano-alloys; Platinum alloys; cobalt; nanoparticle; platinum; ab initio calculation; anisotropy; Article; chemical composition; density functional theory; electron; magnetism; magnetocrystalline anisotropy; priority journal
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