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Engineering 2D square lattice Hubbard models in 90∘ twisted Ge/SnX (X=S, Se) moiré supperlattices

MPS-Authors
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Tancogne-Dejean,  N.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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Viñas Boström,  E.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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Kennes,  D. M.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Institut für Theorie der Statistischen Physik, RWTH Aachen University and JARA-Fundamentals of Future Information Technology;

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Rubio,  A.
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Computational Quantum Physics, Simons Foundation Flatiron Institute;

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Xian,  L. D.
Songshan Lake Materials Laboratory;
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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https://arxiv.org/abs/2406.05626
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2406.05626.pdf
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引用

Xu, Q., Tancogne-Dejean, N., Viñas Boström, E., Kennes, D. M., Claassen, M., Rubio, A., & Xian, L. D. (2024). Engineering 2D square lattice Hubbard models in 90∘ twisted Ge/SnX (X=S, Se) moiré supperlattices.


引用: https://hdl.handle.net/21.11116/0000-000F-6727-2
要旨
Due to the large-period superlattices emerging in moiré two-dimensional (2D) materials, electronic states in such systems exhibit low energy flat bands that can be used to simulate strongly correlated physics in a highly tunable setup. While many investigations have thus far focused on moiré flat bands and emergent correlated electron physics in triangular, honeycomb and quasi-one-dimensional lattices, tunable moiré realizations of square lattices subject to strong correlations remain elusive. Here we propose a feasible scheme to construct moire square lattice systems by twisting two layers of 2D materials in a rectangular lattice by 90 degrees. We demonstrate such scheme with twisted Ge/SnX (X=S,Se) moiré superlattices and theoretical calculate their electronic structures from first principles. We show that the lowest conduction flat band in these systems can be described by a square lattice Hubbard model with parameters which can be controlled by varying the choice of host materials, number of layers, and external electric fields. In particular, twisted double bilayer GeSe realizes a square lattice Hubbard model with strong frustration due to the next nearest neighbour hopping that could lead to unconventional superconductivity, in close analogy to the Hubbard model for copper-oxygen planes of cuprate high-temperature superconductors. The basic concept of using 90-degree twisted 2D materials with rectangular unit cell to realize the square lattice Hubbard model works in general and therefore we establish those systems as tunable platforms to simulate correlation physics in such a geometries.