English

Quasiparticle spectra from molecules to bulk

Mesoscale and Nanoscale Physics 2018-03-21 v1

Abstract

A stochastic cumulant GW method is presented, allowing us to map the evolution of photoemission spectra, quasiparticle energies, lifetimes and emergence of collective excitations from molecules to bulk-like systems with up to thousands of valence electrons, including Si nanocrystals and nanoplatelet. The quasiparticle energies rise due to their coupling with collective shake-up (plasmon) excitations, and this coupling leads to significant spectral weight loss (up to 50% for the low energy states), shortening the lifetimes and shifting the spectral features to lower energy by as much as 0.6 eV. Such features are common to all the systems studied irrespective of their size and shape. For small and low dimensional systems the surface plasmon resonances affect the frequency of the collective excitation and position of the satellites.

Keywords

Cite

@article{arxiv.1708.03848,
  title  = {Quasiparticle spectra from molecules to bulk},
  author = {Vojtech Vlcek and Eran Rabani and Daniel Neuhauser},
  journal= {arXiv preprint arXiv:1708.03848},
  year   = {2018}
}

Comments

6 pages, 4 figures

R2 v1 2026-06-22T21:13:18.803Z