Nature of excitons in the Ti L and O K edges of x-ray absorption spectra in bulk SrTiO_{3} from a combined first principles and many-body theory approach

Based on density functional theory calculations, we model the x-ray absorption spectra of the O K edge and the Ti L_{2,3} edge in bulk SrTiO_{3}. Taking into account excitonic effects by solving the Bethe-Salpeter equation is found to be pivotal for obtaining concurrence with the experimental data w...

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Bibliographic Details

Published in:	Physical Review Research
Main Authors:	Vijaya Begum-Hudde, Tobias Lojewski, Nico Rothenbach, Benedikt Eggert, Andrea Eschenlohr, Katharina Ollefs, Markus E. Gruner, Rossitza Pentcheva
Format:	Article
Language:	English
Published:	American Physical Society 2023-03-01
Online Access:	http://doi.org/10.1103/PhysRevResearch.5.013199