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首页> 外文期刊>Physical review. B, Condensed Matter And Materials Physics >Modeling epitaxial growth of binary alloy nanostructures on a weakly interacting substrate
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Modeling epitaxial growth of binary alloy nanostructures on a weakly interacting substrate

机译：在弱相互作用基底上模拟二元合金纳米结构的外延生长

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Stochastic growth of binary alloys on a weakly interacting substrate is studied by kinetic Monte Carlo simulation. The underlying lattice model relates to fcc alloys, and the kinetics are based on deposition, atomic migration with bond-breaking processes, and exchange processes mediated by nearest neighbor hopping steps. We investigate the interrelation between surface processes and the emerging nonequilibrium structure at and below the growing surface under conditions where atoms in the bulk can be regarded as immobile. The parameters of the model are adapted to CoPt_3 alloys. Growing nanoclusters exhibit an anisotropic short range order, primarily caused by Pt segregation at the surface. The overall structural anisotropy depends on both Pt surface segregation and cluster shape, and can explain the perpendicular magnetic anisotropy (PMA) recently measured in CoPt_3 nanoclusters on a van der Waals substrate. The onset of L1_2 ordering in the cluster is induced by surface processes. The same kinetic model is applied also to continuous thin films, which in addition can exhibit a small bulk contribution to PMA.
机译：通过动力学蒙特卡洛模拟研究了二元合金在弱相互作用基底上的随机生长。基本的晶格模型与fcc合金有关，动力学基于沉积，具有键断裂过程的原子迁移以及由最近的邻居跳跃步骤介导的交换过程。我们研究了在主体中的原子可被视为不可移动的条件下，表面过程与正在生长的表面及其下方的新兴非平衡结构之间的相互关系。模型的参数适用于CoPt_3合金。不断增长的纳米团簇表现出各向异性的短程有序，这主要是由于表面的Pt偏析引起的。整体结构各向异性取决于Pt表面偏析和簇形状，并且可以解释最近在范德华衬底上的CoPt_3纳米团簇中测量的垂直磁各向异性（PMA）。 L1_2有序在簇中的出现是由表面过程引起的。相同的动力学模型也适用于连续的薄膜，此外，薄膜对PMA的贡献很小。

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