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By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals.…

Strongly Correlated Electrons · Physics 2025-01-07 Mohammed M. Al Ezzi , Gayani N. Pallewela , Christophe De Beule , E. J. Mele , Shaffique Adam

We apply a multiscale modeling approach to study lattice reconstruction in marginally twisted bilayers of transition metal dichalcogenides (TMD). For this, we develop DFT-parametrized interpolation formulae for interlayer adhesion energies…

Mesoscale and Nanoscale Physics · Physics 2020-05-21 V. V. Enaldiev , V. Zólyomi , C. Yelgel , S. J. Magorrian , V. I. Fal'ko

The symmetry-broken correlated states in twisted double bilayer graphene (TDBG) can be tuned via several external knobs, including twist angle, displacement field, and carrier density. However, a direct, momentum-resolved characterization…

Rotational misalignment or twisting of two mono-layers of graphene strongly influences its electronic properties. Structurally, twisting leads to large periodic supercell structures, which in turn can support intriguing strongly correlated…

Flat electronic bands, characteristic of magic-angle twisted bilayer graphene (TBG), host a wealth of correlated phenomena. Early theoretical considerations suggested that, at the magic angle, the Dirac velocity vanishes and the entire…

When twisted to angles near 1{\deg}, graphene multilayers provide a new window on electron correlation physics by hosting gate-tuneable strongly-correlated states, including insulators, superconductors, and unusual magnets. Here we report…

We study the electronic and topological properties of fully relaxed twisted bilayer (TBG) and double bilayer (TDBG) graphene under perpendicular pressure. An approach has been proposed to obtain the equilibrium in-plane structural…

Mesoscale and Nanoscale Physics · Physics 2020-07-20 Xianqing Lin , Haotian Zhu , Jun Ni

In twisted bilayer graphene (TBLG), extremely small deviations from the magic twist angle $\theta_m{\approx}1.08^\circ$ change its electronic structure near the Fermi level drastically, causing a meV-wide flat band to appear or disappear.…

Mesoscale and Nanoscale Physics · Physics 2018-11-26 Xianqing Lin , Dan Liu , David Tománek

Flatbands with extremely narrow bandwidths on the order of a few mili-electron volts can appear in twisted multilayer graphene systems for appropriate system parameters. Here we investigate the electronic structure of a twisted bi-bilayer…

Mesoscale and Nanoscale Physics · Physics 2019-06-24 Narasimha Raju Chebrolu , Bheema Lingam Chittari , Jeil Jung

Motivated by recent experiments probing the wavefunctions of magic-angle twisted bilayer graphene (tBLG), we perform large-scale first-principles calculations of tBLG with full atomic relaxation across a wide range of twist angles down to…

Mesoscale and Nanoscale Physics · Physics 2026-02-16 Albert Zhu , Daniel Bennett , Daniel T. Larson , Mohammed M. Al Ezzi , Efstratios Manousakis , Efthimios Kaxiras

This work investigates the electronic properties of twisted bilayer graphene (TBG) through computational calculations, with the aim of understanding the emergence of flat bands and conditions favorable for superconductivity close to the…

Mesoscale and Nanoscale Physics · Physics 2026-01-21 Rajendra Paudel , Nabin Upadhya Dhakal , Nurapati Pantha

This work theoretically explores how to emulate twisted double bilayer graphene with ultracold atoms in multiorbital optical lattices. In particular, the quadratic band touching of Bernal stacked bilayer graphene is emulated using a square…

Quantum Gases · Physics 2021-12-28 Junhyun Lee , J. H. Pixley

We extensively investigate the electronic and transport properties of a twisted bilayer graphene when subjected to both an external perpendicular electric field and a magnetic field. Using a basic tight-binding model, we show the flat…

Mesoscale and Nanoscale Physics · Physics 2023-11-13 Priyanka Sinha , Ayan Mondal , Simão Meneses João , Bheema Lingam Chittari

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

Twisted bilayer graphene with tiny rotation angles have drawn significant attention due to the observation of the unconventional superconducting and correlated insulating behaviors. In this paper, we employ a full tight-binding model to…

Mesoscale and Nanoscale Physics · Physics 2021-03-24 Xueheng Kuang , Zhen Zhan , Shengjun Yuan

We compute the phase diagram of twisted bilayer graphene near the magic angle where the occurrence of flat bands enhances the effects of electron-electron interactions and thus unleashes strongly-correlated phenomena. Most importantly, we…

Strongly Correlated Electrons · Physics 2018-12-26 Dante M. Kennes , Johannes Lischner , Christoph Karrasch

Twisted double bilayer graphene (tDBLG) is a moir\'e material that has recently generated significant interest because of the observation of correlated phases near the magic angle. We carry out atomistic Hartree theory calculations to study…

Motivated by the recent observation of correlated insulator states and unconventional superconductivity in twisted bilayer graphene, we study the dependence of electron correlations on the twist angle and reveal the existence of strong…

Strongly Correlated Electrons · Physics 2019-09-18 Zachary A. H. Goodwin , Fabiano Corsetti , Arash A. Mostofi , Johannes Lischner

One- and two-dimensional bilayer systems are examples of ultra-tunable quantum materials that are considered as the basis for the new generation of electronic and photonic devices. Here we develop a general theory of the electron band…

Mesoscale and Nanoscale Physics · Physics 2022-06-22 D. V. Chalin , D. I. Levshov , A. E. Myasnikova , S. B. Rochal

Electron-electron interactions play an important role in graphene and related systems and can induce exotic quantum states, especially in a stacked bilayer with a small twist angle. For bilayer graphene where the two layers are twisted by a…