Imperial College London
Portrait Picture

DrAnnaRegoutz

Faculty of Engineering, Department of Materials

Academic Visitor
 
 
 
//

Contact

 

a.regoutz Website

 
 
//

Location

 

2.M14Royal School of MinesSouth Kensington Campus

//

Summary

 

Publications

Citation

BibTex format

@unpublished{Ghiasi:2018,
author = {Ghiasi, M and Hariki, A and Winder, M and Kune, J and Regoutz, A and Lee, T-L and Hu, Y and Rueff, J-P and Groot, FMFD},
title = {Hard x-ray 1$s$ and 2$p$ photoemission spectra: LDA+DMFT and cluster-model analysis},
url = {http://arxiv.org/abs/1812.06432v2},
year = {2018}
}
Download

RIS format (EndNote, RefMan)

TY  - UNPB
AB  - We study $1s$ and $2p$ hard x-ray photoemission spectra (XPS) in a series oflate transition metal oxides: Fe$_2$O$_3$ (3$d^{5}$), FeTiO$_3$ (3$d^{6}$), CoO(3$d^{7}$) and NiO (3$d^{8}$). The experimental spectra are analyzed with twotheoretical approaches: the MO$_6$ cluster model and the local densityapproximation (LDA) + dynamical mean-field theory (DMFT). Owing to the absenceof the core-valence multiplets and spin-orbit coupling, 1$s$ XPS is found to bea sensitive probe of chemical bonding and nonlocal charge-transfer screening,providing complementary information to 2$p$ XPS. The 1$s$ XPS spectra are usedto assess the accuracy of the $ab$-initio LDA+DMFT approach, developed recentlyto study the material-specific charge-transfer effects in core-level XPS.
AU  - Ghiasi,M
AU  - Hariki,A
AU  - Winder,M
AU  - Kune,J
AU  - Regoutz,A
AU  - Lee,T-L
AU  - Hu,Y
AU  - Rueff,J-P
AU  - Groot,FMFD
PY  - 2018///
TI  - Hard x-ray 1$s$ and 2$p$ photoemission spectra: LDA+DMFT and cluster-model analysis
UR  - http://arxiv.org/abs/1812.06432v2
UR  - http://hdl.handle.net/10044/1/71283
ER  -
Download