Machine-learning test of the single-ion model for d d excitations in cuprates

We investigate $dd$ excitations in Resonant Inelastic X-ray Scattering spectra of YBa$_2$Cu$_3$O$_6$ and La$_2$CuO$_4$ using the local single-ion model. The data are analyzed by conventional global fitting and by a convolutional neural network trained within the same theoretical framework. For YBa$_2$Cu$_3$O$_6$, the excited state energies obtained with the two methods coincide, leading to the $xy$, $3z^2-r^2$, $xz/yz$ sequence for increasing energy. This result validates the use of machine learning tools for the analysis of RIXS spectra dominated by $dd$ excitations. By contrast, for La$_2$CuO$_4$, the two methods do not converge to a single solution, revealing the limitations of the single-ion model in describing $dd$ excitations in cuprates and pointing to the role of additional contributions beyond a purely local picture in shaping high-energy excitations.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2026-11-02
DOI
https://doi.org/10.1103/tn4y-t5ml
Primary Topic
Physics of Superconductivity and Magnetism
Type
article
Field-Weighted Citation Impact
0.00

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article

Machine-learning test of the single-ion model for d d excitations in cuprates

N Brookes, Giacomo Claudio Ghiringhelli, E. Puppin, D. Di Castro et al.
Physical review. B./Physical review. B
Physics of Superconductivity and Magnetism
article

Machine-learning test of the single-ion model for d d excitations in cuprates

N Brookes, Giacomo Claudio Ghiringhelli, E. Puppin, D. Di Castro, Riccardo Arpaia, Floriana Lombardi, F. Yakhou-Harris, A. Tarasio, Leonardo Martinelli, Giacomo Merzoni, Enrico Tassi, Maryia Zinouyeva, Kurt Kummer, Marco Moretti Sala, Francesco Rosa
article en

Abstract

We investigate $dd$ excitations in Resonant Inelastic X-ray Scattering spectra of YBa$_2$Cu$_3$O$_6$ and La$_2$CuO$_4$ using the local single-ion model. The data are analyzed by conventional global fitting and by a convolutional neural network trained within the same theoretical framework. For YBa$_2$Cu$_3$O$_6$, the excited state energies obtained with the two methods coincide, leading to the $xy$, $3z^2-r^2$, $xz/yz$ sequence for increasing energy. This result validates the use of machine learning tools for the analysis of RIXS spectra dominated by $dd$ excitations. By contrast, for La$_2$CuO$_4$, the two methods do not converge to a single solution, revealing the limitations of the single-ion model in describing $dd$ excitations in cuprates and pointing to the role of additional contributions beyond a purely local picture in shaping high-energy excitations.

Physical review. B./Physical review. B
European Synchrotron Radiation Facility, Knut och Alice Wallenbergs Stiftelse, Vetenskapsrådet
Openalex Percentile: Top 54%
Physics of Superconductivity and Magnetism
DOIOpen Access PDFOpenAlex
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