Nonlocal correlation effects due to virtual spin-flip processes in itinerant electron ferromagnets
Source abstract
Abstract
We present an ab initio method for electronic 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 nonlocality 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 half-metallic ferromagnet NiMnSb concerning its nonquasiparticle states appearing in the band gap due to spin-flip excitations.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Heusler alloys: electronic and magnetic properties · Magnetic and transport properties of perovskites and related materials · Physics of Superconductivity and Magnetism
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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