论文标题

反铁磁铁MN2AU的多尺度建模:从Ab-Initio到Micromagnetics

Multiscale Modelling of the Antiferromagnet Mn2Au: From ab-initio to Micromagnetics

论文作者

Hirst, Joel, Atxitia, Unai, Ruta, Sergiu, Jackson, Jerome, Petit, Leon, Ostler, Thomas

论文摘要

防铁磁铁(AFMS)是未来旋转的强大候选者,并且内存应用很大程度上是因为它们固有的快速动态和缺乏流浪场,而MN2AU是最有前途的人之一。对于磁性材料特性的数值建模,使用Ab-Initio方法,原子模型和微磁学是常见的。但是,单独的每种方法都会在某些限制内描述物理。已经提出了用于铁磁材料的这三种方法之间差异的多尺度方法。在这里,我们将AFM MN2AU的完整多尺度模型作为示例材料,首先是从Ab-Initio方法通过原子旋转动力学(ASD)到AFM Landau Landau-Lifshitz-Bloch(AFM-LLLB)模型的结果。首先,使用基于早期第一原理计算的经典自旋哈密顿量建模。其次,该自旋模型用于随机Landau-Lifshitz-Gilbert(LLG),以计算依赖温度依赖的平衡性能,例如磁化和磁敏感性。第三,在AFM-LLB中使用了依赖温度的微磁参数。我们通过比较三种范式案例的ASD和AFM-LLB模型来验证我们的方法; (i)阻尼的磁振荡,(ii)类似于泵探针实验的热脉冲后的磁化动力学,(iii)磁性域壁运动在热梯度下。

Antiferromagnets (AFMs) are strong candidates for the future spintronic and memory applications largely because of their inherently fast dynamics and lack of stray fields, with Mn2Au being one of the most promising. For the numerical modelling of magnetic material properties, it is common to use ab-initio methods, atomistic models and micromagnetics. However, each method alone describes the physics within certain limits. Multiscale methods bridging the gap between these three approaches have been already proposed for ferromagnetic materials. Here, we present a complete multiscale model of the AFM Mn2Au as an exemplar material, starting with results from ab-initio methods going via atomistic spin dynamics (ASD) to an AFM Landau-Lifshitz-Bloch (AFM-LLB) model. Firstly, bulk is modelled using a classical spin Hamiltonian constructed based on earlier first-principles calculations. Secondly, this spin model is used in the stochastic Landau-Lifshitz-Gilbert (LLG) to calculate temperature-dependent equilibrium properties, such as magnetization and magnetic susceptibilities. Thirdly, the temperature dependent micromagnetic parameters are used in the AFM-LLB. We validate our approach by comparing the ASD and AFM-LLB models for three paradigmatic cases; (i) Damped magnetic oscillations, (ii) magnetization dynamics following a heat pulse resembling pump-probe experiments, (iii) magnetic domain wall motion under thermal gradients.

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