Low-energy electronic excitations and band-gap renormalization in CuO

Claudia Rödl, Kari O. Ruotsalainen, Francesco Sottile, Ari-Pekka Honkanen, James M. Ablett, Jean-Pascal Rueff, Fausto Sirotti, Roberto Verbeni, Ali Al-Zein, Lucia Reining, Simo Huotari

Research output: Contribution to journalArticleScientificpeer-review

Abstract

Combining nonresonant inelastic x-ray scattering experiments with state-of-the-art ab initio many-body calculations, we investigate the electronic screening mechanisms in strongly correlated CuO in a large range of energy and momentum transfers. The excellent agreement between theory and experiment, including the low-energy charge excitations, allows us to use the calculated dynamical screening as a safe building block for many-body perturbation theory and to elucidate the crucial role played by d-d excitations in renormalizing the band gap of CuO. In this way we can dissect the contributions of different excitations to the electronic self-energy which is illuminating concerning both the general theory and this prototypical material.
Original languageEnglish
Article number195142
JournalPhysical Review B
Volume95
Issue number19
Number of pages8
ISSN2469-9950
DOIs
Publication statusPublished - 1 May 2017
MoE publication typeA1 Journal article-refereed

Fields of Science

  • 114 Physical sciences

Cite this