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

Tutkimustuotos: ArtikkelijulkaisuArtikkeliTieteellinenvertaisarvioitu

Kuvaus

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.
Alkuperäiskielienglanti
Artikkeli195142
LehtiPhysical Review B
Vuosikerta95
Numero19
Sivumäärä8
ISSN2469-9950
DOI - pysyväislinkit
TilaJulkaistu - 1 toukokuuta 2017
OKM-julkaisutyyppiA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä, vertaisarvioitu

Tieteenalat

  • 114 Fysiikka

Lainaa tätä

Rödl, Claudia ; Ruotsalainen, Kari O. ; Sottile, Francesco ; Honkanen, Ari-Pekka ; Ablett, James M. ; Rueff, Jean-Pascal ; Sirotti, Fausto ; Verbeni, Roberto ; Al-Zein, Ali ; Reining, Lucia ; Huotari, Simo. / Low-energy electronic excitations and band-gap renormalization in CuO. Julkaisussa: Physical Review B. 2017 ; Vuosikerta 95, Nro 19.
@article{74129a9c5f31405a8b41b1c521171117,
title = "Low-energy electronic excitations and band-gap renormalization in CuO",
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.",
keywords = "114 Physical sciences",
author = "Claudia R{\"o}dl and Ruotsalainen, {Kari O.} and Francesco Sottile and Ari-Pekka Honkanen and Ablett, {James M.} and Jean-Pascal Rueff and Fausto Sirotti and Roberto Verbeni and Ali Al-Zein and Lucia Reining and Simo Huotari",
year = "2017",
month = "5",
day = "1",
doi = "10.1103/PhysRevB.95.195142",
language = "English",
volume = "95",
journal = "Physical Review B",
issn = "2469-9950",
publisher = "American Physical Society",
number = "19",

}

Rödl, C, Ruotsalainen, KO, Sottile, F, Honkanen, A-P, Ablett, JM, Rueff, J-P, Sirotti, F, Verbeni, R, Al-Zein, A, Reining, L & Huotari, S 2017, 'Low-energy electronic excitations and band-gap renormalization in CuO', Physical Review B, Vuosikerta 95, Nro 19, 195142. https://doi.org/10.1103/PhysRevB.95.195142

Low-energy electronic excitations and band-gap renormalization in CuO. / Rödl, Claudia; Ruotsalainen, Kari O.; Sottile, Francesco; Honkanen, Ari-Pekka; Ablett, James M.; Rueff, Jean-Pascal; Sirotti, Fausto; Verbeni, Roberto; Al-Zein, Ali; Reining, Lucia; Huotari, Simo.

julkaisussa: Physical Review B, Vuosikerta 95, Nro 19, 195142, 01.05.2017.

Tutkimustuotos: ArtikkelijulkaisuArtikkeliTieteellinenvertaisarvioitu

TY - JOUR

T1 - Low-energy electronic excitations and band-gap renormalization in CuO

AU - Rödl, Claudia

AU - Ruotsalainen, Kari O.

AU - Sottile, Francesco

AU - Honkanen, Ari-Pekka

AU - Ablett, James M.

AU - Rueff, Jean-Pascal

AU - Sirotti, Fausto

AU - Verbeni, Roberto

AU - Al-Zein, Ali

AU - Reining, Lucia

AU - Huotari, Simo

PY - 2017/5/1

Y1 - 2017/5/1

N2 - 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.

AB - 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.

KW - 114 Physical sciences

U2 - 10.1103/PhysRevB.95.195142

DO - 10.1103/PhysRevB.95.195142

M3 - Article

VL - 95

JO - Physical Review B

JF - Physical Review B

SN - 2469-9950

IS - 19

M1 - 195142

ER -

Rödl C, Ruotsalainen KO, Sottile F, Honkanen A-P, Ablett JM, Rueff J-P et al. Low-energy electronic excitations and band-gap renormalization in CuO. Physical Review B. 2017 touko 1;95(19). 195142. https://doi.org/10.1103/PhysRevB.95.195142