Influence of temperature, doping, and amorphization on the electronic structure and magnetic damping of iron
arxiv(2024)
摘要
Hybrid magnonic quantum systems have drawn increased attention in recent
years for coherent quantum information processing, but too large magnetic
damping is a persistent concern when metallic magnets are used. Their intrinsic
damping is largely determined by electron-magnon scattering induced by
spin-orbit interactions. In the low scattering limit, damping is dominated by
intra-band electronic transitions, which has been theoretically shown to be
proportional to the electronic density of states at the Fermi level. In this
work, we focus on body-centered-cubic iron as a paradigmatic ferromagnetic
material. We comprehensively study its electronic structure using
first-principles density functional theory simulations and account for finite
lattice temperature, boron (B) doping, and structure amorphization. Our results
indicate that temperature induced atomic disorder and amorphous atomic
geometries only have a minor influence. Instead, boron doping noticeably
decreases the density of states near the Fermi level with an optimal doping
level of 6.25
for different atomic geometries and report that the highest reduction
correlates with a large magnetization of the material. This may suggest
materials growth under external magnetic fields as a route to explore in
experiment.
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