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Simulating Correlated Quasi-2D Materials

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If you have a question about this talk, please contact Dr Sun-Woo Kim.

About 20 years ago, the synthesis of two-dimensional crystals and heterostructure meta-materials started a revolution in condensed-matter physics: Graphene, transition-metal dichalcogenides, moiré multilayers, and atomically precise interfaces and ultrathin films allowed the study and discovery of many new phenomena—absent in 3D bulk samples. Here, we will discuss some results, challenges, and opportunities for the simulation of (quasi-)2D materials with strong correlation effects: The rich (but fragile) phase diagram of ultrathin SrVO3 films [1] suggested for use as Mott transistor [2], the connection between strong non-local fluctuations and momentum-dependent renormalizations in those films [3], and the “Coulomb engineering” of 2D Mott materials, where a temporary (and/or spatial) variation in the dielectric environment may trigger a selective insulator-to-metal transition, suggesting application in sensors (or novel circuitry) [4].

[1] M. Pickem, J. Kaufmann, K. Held, JMT , Phys. Rev. B 2 , 024307 (2021) [2] Z. Zhong et al, Phys. Rev. Lett. 114, 246401 (2015) [3] M. Pickem, JMT , K. Held, Phys. Rev. Research 4, 033253 (2022) [4] E.G.C.P. van Loon et al, npj 2D Materials and Applications 7, 47 (2023)

This talk is part of the Lennard-Jones Centre series.

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