Non-Thermal Emergence of an Orbital-Selective Mott Phase in FeTe$_{1-x}$Se$_x$

TL;DR

This study provides spectroscopic evidence of a non-thermal transition towards an orbital-selective Mott phase in FeTe$_{1-x}$Se$_x$, revealing how orbital localization and Fermi surface reconstruction occur with Se substitution.

Contribution

It demonstrates the emergence of an orbital-selective Mott phase in FeTe$_{1-x}$Se$_x$ through combined experimental and theoretical analysis, highlighting non-thermal orbital localization mechanisms.

Findings

Suppression of $d_{xy}$ orbital hybridization with other orbitals.

Reorganization of the Fermi surface from FeSe to FeTe.

Divergent band renormalization in the $d_{xy}$ orbital.

Abstract

Electronic correlation is of fundamental importance to high temperature superconductivity. Iron-based superconductors are believed to possess moderate correlation strength, which combined with their multi-orbital nature makes them a fascinating platform for the emergence of exotic phenomena. A particularly striking form is the emergence of an orbital selective Mott phase, where the localization of a subset of orbitals leads to a drastically reconstructed Fermi surface. Here, we report spectroscopic evidence of the reorganization of the Fermi surface from FeSe to FeTe as Se is substituted by Te. We uncover a particularly transparent way to visualize the localization of the $d_{xy}$ electron orbital through the suppression of its hybridization with the more coherent $d$ electron orbitals, which leads to a redistribution of the orbital-dependent spectral weight near the Fermi level. These noteworthy features of the Fermi surface are accompanied by a divergent behavior of a band renormalization in the $d_{xy}$ orbital. All of our observations are further supported by our theoretical calculations to be salient spectroscopic signatures of such a non-thermal evolution from a strongly correlated metallic phase towards an orbital-selective Mott phase in FeTe$_{1-x}$Se$_x$ as Se concentration is reduced.