论文标题
由于巡回电子铁磁体中的虚拟自旋过程而引起的非本地相关效应
Non-local correlation effects due to virtual spin-flip processes in itinerant electron ferromagnets
论文作者
论文摘要
我们提出了一种用于Eletcronic结构计算的AB启动方法，该方法解释了铁磁体中电子和镁的相互作用。虽然它基于许多身体扰动理论，但我们以数量复杂的数量和时间依赖性密度功能理论近似。这导致了一种简单且负担得起的算法，该算法使我们能够考虑比在这种情况下通常研究的材料（$ 3D $ Ferromagnets），同时仍然能够考虑自我能源的非本地性。此外，我们的方法允许采用一种相对简单的方法来融合自稳定性。我们的结果与铁和镍的实验和理论发现非常吻合。特别是在我们的理论中准确地预测了镍的实验交换分裂。此外，我们研究了半金属的铁磁铁NIMNSB，这些nimnsb涉及其非Qusiparticle状态，该状态由于自旋flip刺激而出现在带隙中。
We present an ab initio method for eletcronic structure calculations, which accounts for the interaction of electrons and magnons in ferromagnets. While it is based on a many body perturbation theory we approximate numerically complex quantities with quantities from time dependent density functional theory. This results in a simple and affordable algorithm which allows us to consider more complex materials than those usually studied in this context ($3d$ ferromagnets) while still being able to account for the non-locality of the self energy. Furthermore, our approach allows for a relatively simple way to incorporate self-consistency. Our results are in a good agreement with experimental and theoretical findings for iron and nickel. Especially the experimental exchange splitting of nickel is predicted accurately within our theory. Additionally, we study the halfmetallic ferromagnet NiMnSb concerning its non-qusiparticle states appearing in the bandgap due to spin-flip excitations.
