Electronic correlation effects in the response of graphene and MoS2 monolayers to the impact of highly-charged ions

Fuente: arXiv
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Main Authors: Lovato, Giorgio, Bonitz, Michael, Balzer, Karsten, Caruso, Fabio, Joost, Jan-Philip
Format: Preprint
Published: 2025
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author Lovato, Giorgio
Bonitz, Michael
Balzer, Karsten
Caruso, Fabio
Joost, Jan-Philip
author_facet Lovato, Giorgio
Bonitz, Michael
Balzer, Karsten
Caruso, Fabio
Joost, Jan-Philip
contents The interaction of highly-charged ions with monolayers of graphene and MoS2 is theoretically investigated based on nonequilibrium Green Functions (NEGF). 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, 155141 (2023)]. We demonstrate that, while electronic correlations have a minor effect in graphene, they significantly influence the electron dynamics in the case of MoS2. 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.
format Preprint
id arxiv_https___arxiv_org_abs_2508_16751
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Electronic correlation effects in the response of graphene and MoS2 monolayers to the impact of highly-charged ions
Lovato, Giorgio
Bonitz, Michael
Balzer, Karsten
Caruso, Fabio
Joost, Jan-Philip
Mesoscale and Nanoscale Physics
The interaction of highly-charged ions with monolayers of graphene and MoS2 is theoretically investigated based on nonequilibrium Green Functions (NEGF). 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, 155141 (2023)]. We demonstrate that, while electronic correlations have a minor effect in graphene, they significantly influence the electron dynamics in the case of MoS2. 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.
title Electronic correlation effects in the response of graphene and MoS2 monolayers to the impact of highly-charged ions
topic Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2508.16751