γ-Mn at the border between weak and strong correlations.

We investigate the role of magnetic fluctuations in the spectral properties of paramagnetic γ-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 γ-Mn is very sensitive to the value of Hund’s exchange parameter. Comparison with the experimental photoemission spectra demonstrates that γ-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. [ABSTRACT FROM AUTHOR]