Hund's coupling key role in multi-orbital correlations

TL;DR

This paper explores how Hund's coupling influences electronic correlations in multi-orbital materials, affecting Mott transitions, band behavior, and orbital-selective phenomena, with implications for understanding complex correlated systems.

Contribution

It provides a comprehensive analysis of Hund's coupling effects on multi-band correlations, highlighting its role in band decoupling and orbital-selective Mott transitions, which was less understood before.

Findings

Hund's coupling enhances correlations in half-filled systems.

It pushes the Mott transition to very high critical couplings in other cases.

Orbital decoupling leads to orbital-selective Mott transitions.

Abstract

We show how in multi-band materials, the Hund's coupling plays a crucial role in tuning the degree of electronic correlation. While in half-filled systems it enhances the correlations, in all other cases it pushes the boundary for the Mott transition at very high critical couplings. Moreover in weakly-hybridized non-degenerate systems the Hund's coupling plays the role of band-decoupler, causing a change from a collective to an individual band behavior, due to the freezing of orbital fluctuations. In this situation the physics is strongly dependent on individual filling and electronic structure of each band, and orbital-selective Mott transitions (or even a cascade of such transitions) are to be expected. More generally a heavy differentiation in the actual degree of correlation of different bands arises and the system can show both weakly and strongly correlated electrons.