Unfolding the kagome lattice to improve understanding of ARPES in CoSn

TL;DR

This paper enhances understanding of ARPES measurements in kagome lattice materials by using band unfolding and polarization techniques to clarify complex electronic structures in CoSn.

Contribution

It introduces a method combining band unfolding and ARPES matrix element analysis to better interpret kagome lattice electronic structures, especially in multi-orbital systems like CoSn.

Findings

Unfolded band calculations reveal interference effects in ARPES intensity.

Polarization-dependent ARPES isolates individual band dispersions.

Correlation effects selectively renormalize bands near the Fermi level.

Abstract

Metallic kagome lattices are attracting significant attention as they provide a platform to explore the interplay between topology and magnetism. Angle-resolved photoemission spectroscopy (ARPES) plays a key role in unraveling their electronic structure. However, the analysis is often challenging due to the presence of multiple bands near the Fermi level. Indeed, each orbital generates three bands in a kagome lattice due to its three sites motif, which soon becomes complicated if many orbitals are present. To address this complexity, using ARPES matrix elements can be highly beneficial. First, band symmetry can be determined through selection rules based on light polarization. We emphasize that, in kagome lattices, as in all multi-site lattices, symmetry of the Bloch state is not only determined by the orbital character but also by the relative phase between the three sublattices. Additionally, interference between the three sublattices leads to a strong modulation of ARPES intensity across neighboring Brillouin zones. We show how unfolded band calculations capture these modulations, helping with band identification. We apply these ideas to CoSn, whose simple structure retains the key features of a kagome lattice. Using polarization dependent ARPES in several Brillouin zones, we isolate the dispersion of each band and discuss novel correlation effects, selectively renormalizing the bands crossing the Fermi level and shifting the others.