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Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2

Fabio Caruso, Carla Verdi, Samuel Poncé, and Feliciano Giustino
Phys. Rev. B 97, 165113 – Published 9 April 2018

Abstract

We develop a first-principles approach based on many-body perturbation theory to investigate the effects of the interaction between electrons and carrier plasmons on the electronic properties of highly doped semiconductors and oxides. Through the evaluation of the electron self-energy, we account simultaneously for electron-plasmon and electron-phonon coupling in theoretical calculations of angle-resolved photoemission spectra, electron linewidths, and relaxation times. We apply this methodology to electron-doped anatase TiO2 as an illustrative example. The simulated spectra indicate that electron-plasmon coupling in TiO2 underpins the formation of satellites at energies comparable to those of polaronic spectral features. At variance with phonons, however, the energy of plasmons and their spectral fingerprints depends strongly on the carrier concentration, revealing a complex interplay between plasmon and phonon satellites. The electron-plasmon interaction accounts for approximately 40% of the total electron-boson interaction strength, and it is key to improve the agreement with measured quasiparticle spectra.

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  • Received 23 January 2018

DOI:https://doi.org/10.1103/PhysRevB.97.165113

©2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Fabio Caruso1,2, Carla Verdi2, Samuel Poncé2, and Feliciano Giustino2,3

  • 1Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, Germany
  • 2Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom
  • 3Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853, USA

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Issue

Vol. 97, Iss. 16 — 15 April 2018

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