Magnetic exchange in $\alpha $-iron from the ab initio calculations in the paramagnetic phase
Abstract
Applying the local density approximation (LDA) and dynamical mean field theory (DMFT) to paramagnetic -iron, we revisit a problem of theoretical description of its magnetic properties. The analysis of local magnetic susceptibility shows that at sufficiently low temperatures , both, and states equally contribute to the formation of the effective magnetic moment with spin S=1. The self-energy of t_{2g} states shows sizable deviations from Fermi-liquid form, which accompanies earlier found non-quasiparticle form of e_{g} states. By considering the non-uniform magnetic susceptibility we find that the non-quasiparticle form of states is crucial for obtaining ferromagnetic instability in -iron. The main contribution to the exchange interaction, renormalized by the effects of electron interaction, comes from the hybridization between and states. We furthermore suggest the effective spin-fermion model for -iron, which allows us to estimate the exchange interaction from paramagnetic phase, which is in agreement with previous calculations in the ordered state within the LDA approaches.
Keywords
Cite
@article{arxiv.1411.1888,
title = {Magnetic exchange in $\alpha $-iron from the ab initio calculations in the paramagnetic phase},
author = {P. A. Igoshev and A. V. Efremov and A. A. Katanin},
journal= {arXiv preprint arXiv:1411.1888},
year = {2015}
}
Comments
5+2 pages, 4+2 figures