Spectroscopic signatures of nonpolarons: the case of diamond.


Journal

Physical chemistry chemical physics : PCCP
ISSN: 1463-9084
Titre abrégé: Phys Chem Chem Phys
Pays: England
ID NLM: 100888160

Informations de publication

Date de publication:
25 May 2022
Historique:
pubmed: 18 5 2022
medline: 18 5 2022
entrez: 17 5 2022
Statut: epublish

Résumé

Polarons are quasi-particles made from electrons interacting with vibrations in crystal lattices. They derive their name from the strong electron-vibration polar interactions in ionic systems, that induce spectroscopic and optical signatures of such quasi-particles. In this paper, we focus on diamond, a non-polar crystal with inversion symmetry which nevertheless shows interesting signatures stemming from electron-vibration interactions, better denoted "nonpolaron" signatures in this case. The (non)polaronic effects are produced by short-range crystal fields, while long-range quadrupoles only have a small influence. The corresponding many-body spectral function has a characteristic energy dependence, showing a plateau structure that is similar to but distinct from the satellites observed in the polar Fröhlich case. We determine the temperature-dependent spectral function of diamond by two methods: the standard Dyson-Migdal approach, which calculates electron-phonon interactions within the lowest-order expansion of the self-energy, and the cumulant expansion, which includes higher orders of electron-phonon interactions. The latter corrects the nonpolaron energies and broadening, providing a more realistic spectral function, which we examine in detail for both conduction and valence band edges.

Identifiants

pubmed: 35579374
doi: 10.1039/d2cp01012g
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

12580-12591

Auteurs

Joao C de Abreu (JC)

nanomat/Q-MAT/CESAM and European Theoretical Spectroscopy Facility, Université de Liège, B-4000, Belgium. jcabreu@uliege.be.

Jean Paul Nery (JP)

Dipartimento di Fisica, Università di Roma La Sapienza, I-00185 Roma, Italy.

Matteo Giantomassi (M)

UCLouvain, Institute of Condensed Matter and Nanosciences (IMCN), Chemin des Étoiles 8, B-1348 Louvain-la-Neuve, Belgium.

Xavier Gonze (X)

UCLouvain, Institute of Condensed Matter and Nanosciences (IMCN), Chemin des Étoiles 8, B-1348 Louvain-la-Neuve, Belgium.
Skolkovo Institute of Science and Technology, Moscow, Russia.

Matthieu J Verstraete (MJ)

nanomat/Q-MAT/CESAM and European Theoretical Spectroscopy Facility, Université de Liège, B-4000, Belgium. jcabreu@uliege.be.

Classifications MeSH