Analysis of the magnetization for Fe and Ni ferromagnetic nanoparticles with variable geometry using VAMPIRE software

Yacu V. Alca-Ramos, Juan A. Ramos-Guivar, Edson Caetano Passamani
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引用次数: 1

Abstract

The purpose of this research is to have a quantitative analysis on the temperature dependence magnetization of ferromagnetic nanoparticles (NPs), i.e., the Curie temperature (Tc), was systematically studied. The atomistic simulations were carried out using the VAMPIRE 5.0 software based on the Landau-Lifshitz-Gilbert-Heun method. The variable parameters of the simulations were damping, time step, particle geometry (spherical, cubic, and cylindrical) and particle size. We have calculated λ for Fe and Ni, in addition we have found different Tc values for each nanogeometry studied following a finite-size effect. We have found ν values for cubic NPs close to the reported values. In particular, it was observed that the Tc values for the studied geometries in the case of Fe and Ni decreases from their theoretical bulk values, for a critical particle size diameter less than 5 nm. Hence, the presented results (optimized atomistic parameters such as simulation time step, damping, and critical exponents) are the basis for advanced simulations of hybrid and complex nanostructures with perspective in biomedical and environmental applications.
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利用VAMPIRE软件分析变几何形状铁和镍铁磁性纳米颗粒的磁化强度
本研究的目的是定量分析铁磁纳米颗粒(NPs)的温度依赖磁化,即系统地研究居里温度(Tc)。采用基于Landau-Lifshitz-Gilbert-Heun方法的VAMPIRE 5.0软件进行原子模拟。模拟的可变参数包括阻尼、时间步长、颗粒几何形状(球形、立方和圆柱形)和颗粒大小。我们已经计算出了Fe和Ni的λ,此外,我们还发现在有限尺寸效应下,每个纳米几何结构的Tc值都不同。我们发现三次NPs的ν值与报道的值接近。尤其值得注意的是,当临界粒径小于5 nm时,Fe和Ni的Tc值比理论体积值有所下降。因此,所提出的结果(优化的原子参数,如模拟时间步长、阻尼和临界指数)是混合和复杂纳米结构高级模拟的基础,具有生物医学和环境应用的前景。
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