gamma-Mn at the border between weak and strong correlations
Abstract
We investigate the role of magnetic fluctuations in the spectral properties of paramagnetic gamma-Mn. Two methods are employed. The Local Density Approximation plus Dynamical Mean-Field Theory together with the numerically exact quantum Monte-Carlo solver is used as a reference for the spectral properties. Then the same scheme is used with the computationally less demanding perturbative spin-polarized fluctuation-exchange solver in combination with the Disordered Local Moment approach, and photoemission spectra are calculated within the one-step model. It is shown that the formation of local magnetic moments in gamma-Mn is very sensitive to the value of Hund's exchange parameter. Comparison with the experimental photoemission spectra demonstrates that gamma-Mn is a strongly correlated system, with the Hubbard band formation, which cannot be described by the perturbative approach. However, minor change of parameters would transform it into a weakly correlated system.
Keywords
Cite
@article{arxiv.0906.0787,
title = {gamma-Mn at the border between weak and strong correlations},
author = {I. Di Marco and J. Minár and J. Braun and M. I. Katsnelson and A. Grechnev and H. Ebert and A. I. Lichtenstein and O. Eriksson},
journal= {arXiv preprint arXiv:0906.0787},
year = {2015}
}
Comments
6 pages, 4 figures