Work

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

Year: 2025

Type: article

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.

Source: physica status solidi (b)

DOI: 10.1002/pssb.202500458

Authors: Giorgio Lovato, Michael Bonitz, Karsten Balzer, Fabio Caruso, Jan‐Philip Joost

Institutions: Max Planck Institute for Dynamics and Self-Organization, Christian-Albrechts-Universität zu Kiel

Language: English

Topic: Graphene research and applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,650

Funders: Deutsche Forschungsgemeinschaft, Technische Universität Wien