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arxiv: 2509.13114 · v1 · pith:6M2UANDOnew · submitted 2025-09-16 · ❄️ cond-mat.mtrl-sci

Relaxation and Its Effects on Electronic Structure in Twisted Systems: An Analytical Perspective

classification ❄️ cond-mat.mtrl-sci
keywords relaxationanalyticaltwistedelectronictheoryframeworkmaterialsphase
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Lattice relaxation profoundly reshapes electronic structures in twisted materials. Prevailing treatments, however, typically rely on large-scale density functional theory (DFT), which is computationally costly and mechanistically opaque. Here, we develop a unified analytical framework to overcome these limitations. From continuum elastic theory, we derive closed-form solutions for both in-plane and out-of-plane relaxation fields. We further introduce an analytical phase factor expansion theory that maps relaxation into the electronic Hamiltonian. By applying this framework, the relaxation-mediated single-particle and many-body topological phase transitions in twisted MoTe$_{2}$ is accurately captured, and the evolution of flat bands in magic-angle graphene is quantitatively reproduced. Our work transforms the research of moir\'e relaxation from black-box numerical fitting to an analytical paradigm, offering fundamental insights, exceptional efficiency, and general applicability to a wide range of twisted materials.

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Cited by 1 Pith paper

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score.

  1. Lattice Relaxation in Moir\'e Heterobilayers

    cond-mat.mes-hall 2026-05 conditional novelty 5.0

    Derives perturbative expressions for layer-resolved in-plane displacements from continuum elasticity in moiré heterobilayers and predicts a buckling instability near alignment driven by compressive strain.