Electron-phonon scattering effects on electronic and optical properties of orthorhombic GeS

Abstract

Group-VI monochalcogenides are attracting a great deal of attention due to their peculiar anisotropic properties. Very recently, it has been suggested that GeS could act as a promissory absorbing material with high input-output ratios, relevant features for designing prospective optoelectronic devices. In this work, we use the \emph{ab-initio} many body perturbation theory to study the role of the electron-phonon coupling on orthorhombic GeS. We identify the vibrational modes that efficiently couple with the electronic states responsible for giving rise to the first and second excitonic state. We also study the finite-temperature optical absorption and show that even at $T\to 0K$, the role of the electron-phonon interaction is crucial to properly describe the main experimental excitation peaks position and width. Our results suggest that the electron-phonon coupling is essential to properly describe the optical properties of the monochalcogenides family.

Published in PRB

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• The influence of high-energy local orbitals and electron-phonon interactions on the band gaps and optical spectra of hexagonal boron nitride
• First-Principles Insights into Excitonic and Electron-Phonon Effects in van der Waals Heterostructures