论文标题
在Fe/Mgo/Fe磁性隧道连接处确定垂直磁各向异性：一种基于DFT的自旋轨道扭矩方法
Determining Perpendicular Magnetic Anisotropy in Fe/MgO/Fe Magnetic Tunnel Junction: A DFT-Based Spin-Orbit Torque Method
论文作者
论文摘要
在我们的Junpy套餐中，我们将计算出的第一原理与分裂和互感技术结合在一起，以成功地确定Fe/Mgo/Fe磁性隧道连接处（MTJ）中的磁各向异性（MA）。我们提出了一个全面的分析推导，以阐明自旋轨道耦合的关键作用，该耦合介导了自旋扭矩的交换和自旋轨道成分，以及自旋电流积累的动力学和自旋轨道成分。累积自旋轨道扭矩（SOT）的角度依赖性表明单轴MA对应于自由Fe层的磁矩的平面外旋转。与整个MTJ的常规MA能量计算和现象学理论不同，我们的结果提供了对紧急复杂磁性异构膜上原子旋转动力学模拟的轨道分辨SOT的见解。
In our JunPy package, we have combined the first-principles calculated self-consistent Hamiltonian with divide-and-conquer technique to successfully determine the magnetic anisotropy (MA) in an Fe/MgO/Fe magnetic tunnel junction (MTJ). We propose a comprehensive analytical derivation to clarify the crucial roles of spin-orbit coupling that mediates the exchange and spin-orbit components of spin torque, and the kinetic and spin-orbit components of spin current accumulation. The angular dependence of cumulative spin-orbit torque (SOT) indicates a uniaxial MA corresponding to the out-of-plane rotations of magnetic moments of the free Fe layers. Different from the conventional MA energy calculation and the phenomenological theory for a whole MTJ, our results provide insight into the orbital-resolved SOT for atomistic spin dynamics simulation in emergency complex magnetic heterojunctions.
