Electron-vibration coupling induced renormalization in the photoemission spectrum of diamondoids

A. Gali, Tamás Demján, Márton Vörös, Gergo Thiering, Elena Cannuccia, Andrea Marini

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born-Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron-vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron-vibration coupling is essential to properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born-Oppenheimer approximation. Moreover, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn-Teller effect.

Original languageEnglish
Article number11327
JournalNature Communications
Volume7
DOIs
Publication statusPublished - Apr 22 2016

Fingerprint

Photoemission
Vibration
photoelectric emission
Electrons
elementary excitations
vibration
Born approximation
Born-Oppenheimer approximation
electrons
Jahn-Teller effect
Diamond
vibration mode
perturbation theory
breakdown
diamonds
Molecules
electronics
molecules

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)
  • Chemistry(all)
  • Physics and Astronomy(all)

Cite this

Electron-vibration coupling induced renormalization in the photoemission spectrum of diamondoids. / Gali, A.; Demján, Tamás; Vörös, Márton; Thiering, Gergo; Cannuccia, Elena; Marini, Andrea.

In: Nature Communications, Vol. 7, 11327, 22.04.2016.

Research output: Contribution to journalArticle

Gali, A. ; Demján, Tamás ; Vörös, Márton ; Thiering, Gergo ; Cannuccia, Elena ; Marini, Andrea. / Electron-vibration coupling induced renormalization in the photoemission spectrum of diamondoids. In: Nature Communications. 2016 ; Vol. 7.
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