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We develop an analytical theory for lattice relaxation in twisted moir\'e heterobilayers, accounting for lattice mismatch, twist, external biaxial heterostrain, and different elastic constants. Starting from continuum elasticity, we derive…

Mesoscale and Nanoscale Physics · Physics 2026-05-19 Christophe De Beule , Yiyang Lai , Liangtao Peng , Daniel Bennett , Shaffique Adam

Twisted graphene bilayers show a complex electronic structure, further modified by interaction effects. The main features can be obtained from effective models, which make use a few phenomenological parameters. We analyze the influence of…

Strongly Correlated Electrons · Physics 2019-03-04 Niels R. Walet , Francisco Guinea

It is now well established theoretically and experimentally that a moir\'e pattern, due to a rotation of two atomic layers with respect to each other, creates low-energy flat bands. First discovered in twisted bilayer graphene, these new…

Mesoscale and Nanoscale Physics · Physics 2023-07-13 Somepalli Venkateswarlu , Ahmed Misssaoui , Andreas Honecker , Guy Trambly de Laissardière

We study the effect of atomic relaxation on the structure of moir\'e patterns in twisted graphene on graphite and double layer graphene by large scale atomistic simulations. The reconstructed structure can be described as a superlattice of…

Mesoscale and Nanoscale Physics · Physics 2015-10-20 M. M. van Wijk , A. Schuring , M. I. Katsnelson , A. Fasolino

Atomically thin moir\'e materials behave like elastic membranes where at very small twist angles, the van der Waals adhesion energy much exceeds the strain energy. In this ``marginal twist" regime, regions with low adhesion energy expand,…

Mesoscale and Nanoscale Physics · Physics 2025-03-26 Christophe De Beule , Gayani N. Pallewela , Mohammed M. Al Ezzi , Liangtao Peng , E. J. Mele , Shaffique Adam

Twisted double bilayer graphene has recently emerged as an interesting moir\'e material that exhibits strong correlation phenomena that are tunable by an applied electric field. Here we study the atomic and electronic properties of three…

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.…

Materials Science · Physics 2025-09-17 Junxi Yu , Bingbing Wang , Cheng-Cheng Liu

When two-dimensional van der Waals materials are stacked to build heterostructures, moir\'e patterns emerge from twisted interfaces or from mismatch in lattice constant of individual layers. Relaxation of the atomic positions is a direct,…

Mesoscale and Nanoscale Physics · Physics 2023-03-15 Dorri Halbertal , Lennart Klebl , Valerie Hsieh , Jacob Cook , Stephen Carr , Guang Bian , Cory Dean , Dante M. Kennes , Dmitri. N. Basov

Two-dimensional multi-layer materials with an induced moir\'e pattern, either due to strain or relative twist between layers, provide a versatile platform for exploring strongly correlated and topological electronic phenomena. While these…

Strongly Correlated Electrons · Physics 2025-05-27 Mohammed M. Al Ezzi , Albert Zhu , Daniel Bennett , Daniel T. Larson , Efthimios Kaxiras

In twisted bilayer graphene (TBG) a moir\'e pattern forms that introduces a new length scale to the material. At the 'magic' twist angle of 1.1{\deg}, this causes a flat band to form, yielding emergent properties such as correlated…

We generalize the continuum model for Moir\'e structures made from twisted graphene layers, in order to include lattice relaxation and the formation of channels at very small (marginal) twist angles. We show that a precise description of…

Strongly Correlated Electrons · Physics 2020-02-19 Niels R. Walet , Francisco Guinea

The electronic and structural properties of atomically thin materials can be controllably tuned by assembling them with an interlayer twist. During this process, constituent layers spontaneously rearrange themselves in search of a lowest…

Twisted bilayers of two-dimensional materials, such as twisted bilayer graphene, often feature flat electronic bands that enable the observation of electron correlation effects. In this work, we study the electronic structure of twisted…

Materials Science · Physics 2021-05-18 Valerio Vitale , Kemal Atalar , Arash A. Mostofi , Johannes Lischner

The study of moir\'e engineering started with the advent of van der Waals heterostructures in which stacking two-dimensional layers with different lattice constants leads to a moir\'e pattern controlling their electronic properties. The…

Mesoscale and Nanoscale Physics · Physics 2023-08-28 F. Mesple , N. R. Walet , G. Trambly de Laissardière , F. Guinea , D. Dosenovic , H. Okuno , C. Paillet , A. Michon , C. Chapelier , V. T. Renard

Twisted trilayer graphene hosts two moir\'e superlattices originating from two interfaces between graphene layers. However, the system is generally unstable to lattice relaxation at small twist angles and is expected to show a significantly…

Mesoscale and Nanoscale Physics · Physics 2024-07-30 Joonho Jang

Lattice reconstruction in twisted transition-metal dichalcogenide (TMD) bilayers gives rise to piezo- and ferroelectric moir\'e potentials for electrons and holes, as well as a modulation of the hybridisation across the bilayer. Here, we…

Mesoscale and Nanoscale Physics · Physics 2021-09-30 S. J. Magorrian , V. V. Enaldiev , V. Zólyomi , Fábio Ferreira , Vladimir I. Fal'ko , David A. Ruiz-Tijerina

Moir\'e superlattices formed from twisting trilayers of graphene are an ideal model for studying electronic correlation, and offer several advantages over bilayer analogues, including more robust and tunable superconductivity and a wide…

Continuum atomic relaxation models for twisted bilayer graphene involve minimization of the sum of intralayer elastic energy and interlayer adhesion energy. The elastic energy favors a rigid twist i.e. no distortion in the twisted honeycomb…

Strongly Correlated Electrons · Physics 2025-10-10 Jian Kang , Oskar Vafek

The structural and electronic properties of twisted bilayer graphene are investigated from first principles and tight binding approach as a function of the twist angle (ranging from the first "magic" angle $\theta=1.08^\circ$ to…

Materials Science · Physics 2020-10-28 G. Cantele , D. Alfè , F. Conte , V. Cataudella , D. Ninno , P. Lucignano

We construct an analytic continuum model to describe the electronic structure and the electron-phonon interaction in twisted bilayer graphenes with arbitrary lattice deformation. Starting from the tight-binding model, we derive the…

Mesoscale and Nanoscale Physics · Physics 2020-05-20 Mikito Koshino , Nguyen N. T. Nam
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