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

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Sammanfattning

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.
Originalspråkengelska
Artikelnummer195142
TidskriftPhysical Review B
Volym95
Utgåva19
Antal sidor8
ISSN2469-9950
DOI
StatusPublicerad - 1 maj 2017
MoE-publikationstypA1 Tidskriftsartikel-refererad

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