Angle-resolved photoemission intensity for multi-orbital bands: Complex interplay between the self-energy matrix and the optical matrix elements

TL;DR

This paper investigates the complexities in extracting self-energy matrices from ARPES data in multi-orbital systems, highlighting the influence of matrix structure and optical matrix elements on the analysis.

Contribution

It demonstrates how multi-orbital self-energy matrices affect ARPES interpretation, contrasting local and non-local electron-phonon coupling models.

Findings

Self-energy in multi-orbital systems is a matrix, not a scalar.

ARPES analysis results depend on all self-energy matrix elements and dipole matrix elements.

Differences between local and non-local electron-phonon couplings are illustrated.

Abstract

We use a simple one-dimensional two-band model with electron-phonon coupling to illustrate some of the complications that arise in multi-band systems when trying to extract a self-energy using the typical approach used for single-band systems when analyzing angle-resolved photoemission spectroscopy (ARPES) data. The underlying reason is that in multi-band models the self-energy is a matrix, not a scalar, and the result obtained from the ARPES analysis is a complicated function of all these self-energy matrix elements, weighted by different dipole matrix elements of the relevant Wannier orbitals. We contrast the results for Holstein and Peierls electron-phonon couplings to further illustrate differences between models with a local versus non-local self-energy matrix.