论文标题
具有相关电子结构和显着的自旋轨道耦合的磁性材料中的海森堡和各向异性交换相互作用
Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling
论文作者
论文摘要
dzyaloshinskii-moriya(DM)相互作用以及对称各向异性交换是稳定拓扑上非平凡的磁纹理的重要成分,例如Skyrmions,Merons,Merons和Hopfions。这些类型的纹理目前是从基本科学的角度关注的,并且在未来的Spintronics信息技术的背景下也进行了讨论。虽然对海森堡交换相互作用的理论理解良好,但从第一原理理论,DM相互作用以及对称各向异性交换中,这仍然是一个挑战,在磁性系统中都需要对电子结构进行全面的电子结构处理。在这里,我们介绍了一个理论框架的结果,该框架允许在任何给定系统中计算这些相互作用,并在几种选定情况下为批量和低维系统演示其性能。我们讨论了几种代表性的案例,包括大量系统COPT和FEPT,B20化合物MNSI和FEGE以及低维过渡金属BiLayers Co/pt(111)和MN/W(001)。使用动力学平均场理论对电子电子相关性的影响对自旋偏振$ t $ -matrix +波动交换(SPTF)近似的水平,在各向同性(HEISENBERG)和各向异性(DM)相互作用中相关的相互作用与构成电子之间的相关性相互作用。我们的方法可以与治疗相关性的更先进的技术结合使用,例如量子蒙特卡洛和动态平均场理论的杂质求解器的精确对角线化方法。我们发现,相关诱导的DM相互作用变化可能相当显着,在最独特的情况下,最多修改了五倍。
The Dzyaloshinskii-Moriya (DM) interaction, as well as symmetric anisotropic exchange, are important ingredients for stabilizing topologically non-trivial magnetic textures, such as, e.g., skyrmions, merons and hopfions. These types of textures are currently in focus from a fundamental science perspective and they are also discussed in the context of future spintronics information technology. While the theoretical understanding of the Heisenberg exchange interactions is well developed, it is still a challenge to access, from first principles theory, the DM interaction as well as the symmetric anisotropic exchange, which both require a fully-relativistic treatment of the electronic structure, in magnetic systems where substantial electron-electron correlations are present. Here, we present results of a theoretical framework which allows to compute these interactions in any given system and demonstrate its performance for several selected cases, for both bulk and low-dimensional systems. We address several representative cases, including the bulk systems CoPt and FePt, the B20 compounds MnSi and FeGe as well as the low-dimensional transition metal bilayers Co/Pt(111) and Mn/W(001). The effect of electron-electron correlations is analyzed using dynamical mean-field theory on the level of the spin-polarized $T$-matrix + fluctuating exchange (SPTF) approximation, as regards the strength and character of the isotropic (Heisenberg) and anisotropic (DM) interactions in relation to the underlying electronic structure. Our method can be combined with more advanced techniques for treating correlations, e.g., quantum Monte Carlo and exact diagonalization methods for the impurity solver of dynamical mean-field theory. We find that correlation-induced changes of the DM interaction can be rather significant, with up to five-fold modifications in the most distinctive case.