Electronic Correlation Effects in the Response of Graphene and MoS <sub>2</sub> Monolayers to the Impact of Highly‐Charged Ions

The interaction of highly‐charged ions with monolayers of graphene and MoS is theoretically investigated based on nonequilibrium Green Functions. In a recent paper [Niggas et al., Phys. Rev. Lett. 129 , 086802 (2022)] dramatic differences in the response of the two materials to an impacting slow ion were reported. Here, this analysis is extended, focusing on the effect of electron–electron correlations in the monolayer on the electronic response to the ion. We apply the recently developed time‐linear G1–G2 scheme [Schluenzen et al., Phys. Rev. Lett. 124 , 076601 (2020)] combined with an embedding approach [Balzer et al., Phys. Rev. B 107 , 155 141 (2023)]. We demonstrate that, while electronic correlations have a minor effect in graphene, they significantly influence the electron dynamics in the case of MoS. Our key results are the ultrafast dynamics of the charge density and induced electrostatic potential in the vicinity of the impact point of the ion.

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Publication Details

Journal
physica status solidi (b)
Published
2025-12-04
DOI
https://doi.org/10.1002/pssb.202500458
Citations
1
Primary Topic
Spectroscopy and Quantum Chemical Studies
Type
article
Field-Weighted Citation Impact
1.25

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article

Electronic Correlation Effects in the Response of Graphene and MoS 2 Monolayers to the Impact of Highly‐Charged Ions

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1 citations
physica status solidi (b)
Spectroscopy and Quantum Chemical Studies
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article

Electronic Correlation Effects in the Response of Graphene and MoS 2 Monolayers to the Impact of Highly‐Charged Ions

Fabio Caruso, M. Bönitz, Karsten Balzer, Jan‐Philip Joost, Giorgio Lovato
article en
1 citations

Abstract

The interaction of highly‐charged ions with monolayers of graphene and MoS is theoretically investigated based on nonequilibrium Green Functions. In a recent paper [Niggas et al., Phys. Rev. Lett. 129 , 086802 (2022)] dramatic differences in the response of the two materials to an impacting slow ion were reported. Here, this analysis is extended, focusing on the effect of electron–electron correlations in the monolayer on the electronic response to the ion. We apply the recently developed time‐linear G1–G2 scheme [Schluenzen et al., Phys. Rev. Lett. 124 , 076601 (2020)] combined with an embedding approach [Balzer et al., Phys. Rev. B 107 , 155 141 (2023)]. We demonstrate that, while electronic correlations have a minor effect in graphene, they significantly influence the electron dynamics in the case of MoS. Our key results are the ultrafast dynamics of the charge density and induced electrostatic potential in the vicinity of the impact point of the ion.

physica status solidi (b)
Christian-Albrechts-Universität zu Kiel (DE), Max Planck Institute for Dynamics and Self-Organization (DE)
Deutsche Forschungsgemeinschaft, Technische Universität Wien
Openalex Percentile: Top 15%
Spectroscopy and Quantum Chemical Studies
1.25
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