Orbital Selective Mott Transition Effects and Non-Trivial Topology of Iron Chalcogenide

Abstract

The iron-based superconductor FeSe$_{1-x}$Te$_{x}$ (FST) has recently gained significant attention as a host of two distinct physical phenomena: ($i$) Majorana zero modes which can serve as potential topologically protected qubits, and ($ii$) a realization of the orbital selective Mott transition (OSMT). In this Letter, we connect these two phenomena and provide new insights into the interplay between strong electronic correlations and non-trivial topology in FST. Using linearized quasiparticle self-consistent GW plus dynamical mean-field theory, we show that the topologically protected Dirac surface state has substantial Fe($d_{xy}$) character. The proximity to the OSMT plays a dual role, it facilitates the appearance of the topological surface state by bringing the Dirac cone close to the chemical potential, but destroys the Z$_{2}$ topological superconductivity when the system is too close to the orbital selective Mott phase (OSMP). We derive a reduced effective Hamiltonian that describes the topological band. Its parameters capture all the chemical trends found in the first principles calculation. Our findings provide a framework for further study of the interplay between strong electronic correlations and non-trivial topology in other iron-based superconductors.