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We investigate the effects of lithium intercalation in twisted bilayers of graphene, using first-principles electronic structure calculations. To model this system we employ commensurate supercells that correspond to twist angles of…

Mesoscale and Nanoscale Physics · Physics 2020-02-11 Daniel T. Larson , Stephen Carr , Georgios A. Tritsaris , Efthimios Kaxiras

Evidence of flat-band magnetism and half-metallicity in compressed twisted bilayer graphene is provided with first-principles calculations. We show that dynamic band-structure engineering in twisted bilayer graphene is possible by…

Materials Science · Physics 2019-06-05 Alejandro Lopez-Bezanilla

The family of moir\'e materials provides a powerful platform for tuning interlayer couplings via the twist angle in systems with large spatial periodicity. In trilayer graphene systems, interlayer couplings at the two interfaces can…

Mesoscale and Nanoscale Physics · Physics 2025-04-09 Wei-En Tseng , Mei-Yin Chou

In the magic-angle twisted bilayer graphene (MA-TBG), strong electron-electron (e-e) correlations caused by the band-flattening lead to many exotic quantum phases such as superconductivity, correlated insulator, ferromagnetism, and quantum…

Materials Science · Physics 2020-05-29 Ya-Ning Ren , Chen Lu , Yu Zhang , Si-Yu Li , Yi-Wen Liu , Chao Yan , Zi-Han Guo , Cheng-Cheng Liu , Fan Yang , Lin He

We present electronic structure calculations of twisted double bilayer graphene (TDBG): A tetralayer graphene structure composed of two AB-stacked graphene bilayers with a relative rotation angle between them. Using first-principles…

Mesoscale and Nanoscale Physics · Physics 2019-11-05 F. J. Culchac , Rodrigo B. Capaz , Leonor Chico , E. Suarez Morell

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

The emergence of flat bands and correlated behaviors in 'magic angle' twisted bilayer graphene (tBLG) has sparked tremendous interest, though many aspects of the system are under intense debate. Here we report observation of both…

The Bistritzer-MacDonald continuum model (BM model) describes the low-energy moir\'e bands for twisted bilayer graphene (TBG) at small twist angles. We derive a generalized continuum model for TBG near any commensurate twist angle, which is…

Mesoscale and Nanoscale Physics · Physics 2022-09-20 Michael G. Scheer , Kaiyuan Gu , Biao Lian

The generalized tight-binding model is developed to investigate the magneto-electronic properties in twisted bilayer graphene system. All the interlayer and intralayer atomic interactions are included in the Moire superlattice. The twisted…

Mesoscale and Nanoscale Physics · Physics 2019-07-23 Chiun-Yan Lin , Ming-Fa Lin

We study topological bound states in quantum dots defined by an electric field in bilayer graphene. An external field is perpendicular to the bilayer and changes sign in a finite region that defines the quantum dot. The electric field opens…

Mesoscale and Nanoscale Physics · Physics 2026-03-16 Wlodzimierz Jaskolski

We present a tight-binding calculation of a twisted bilayer graphene at magic angle $\theta\sim 1.08^\circ$, allowing for full, in- and out-of-plane, relaxation of the atomic positions. The resulting band structure displays as usual four…

Strongly Correlated Electrons · Physics 2018-12-19 M. Angeli , D. Mandelli , A. Valli , A. Amaricci , M. Capone , E. Tosatti , M. Fabrizio

We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…

Materials Science · Physics 2016-11-15 Sandeep K. Jain , Vladimir Juricic , Gerard T. Barkema

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…

We present a systematic study of the energy levels of twisted bilayer graphene (tBLG) quantum dots (QD) and rings (QR) under an external perpendicular magnetic field. The confinement structures are modeled by a circular dot-like- and…

Mesoscale and Nanoscale Physics · Physics 2024-10-17 N. S. Bandeira , Andrey Chaves , L. V. de Castro , R. N. Costa Filho , M. Mirzakhani , F. M. Peeters , D. R. da Costa

Artificial molecular states of double quantum dots defined in bilayer graphene are studied with the atomistic tight-binding and its low-energy continuum approximation. We indicate that the extended electron wave functions have opposite…

Mesoscale and Nanoscale Physics · Physics 2017-08-02 D. P. Żebrowski , F. M. Peeters , B. Szafran

Staking layered materials revealed to be a very powerful method to tailor their electronic properties. It has indeed been theoretically and experimentally shown that twisted bilayers of graphene (tBLG) with a rotation angle $\theta$,…

Mesoscale and Nanoscale Physics · Physics 2020-07-01 Omid Faizy Namarvar , Ahmed Missaoui , Laurence Magaud , Didier Mayou , Guy Trambly de Laissardière

Moir\'e materials represent strongly interacting electron systems bridging topological and correlated physics. Despite significant advances, decoding wavefunction properties underlying the quantum geometry remains challenging. Here, we…

Twisted bilayer graphene (TBG) is known to have disorder in its twist angle. We show that in terms of a Dirac equation with a random gauge potential ${\bf A}({\bf r})$ this disorder becomes huge when the average twist angle is near the…

Mesoscale and Nanoscale Physics · Physics 2025-08-12 Baruch Horovitz , Pierre Le Doussal

In the past two years, magic-angle twisted bilayer graphene has emerged as a uniquely versatile experimental platform that combines metallic, superconducting, magnetic and insulating phases in a single crystal. In particular the ability to…

Mesoscale and Nanoscale Physics · Physics 2021-07-30 Folkert K. de Vries , Elias Portoles , Giulia Zheng , Takashi Taniguchi , Kenji Watanabe , Thomas Ihn , Klaus Ensslin , Peter Rickhaus

We compute the energy spectrum of a nearest-neighbor electron hopping model for bi-layer graphene at commensurate twist angles. Specifically, we focus on the simplest bi-layer lattices, with moire patterns that have no subcells. The…

Mesoscale and Nanoscale Physics · Physics 2024-10-25 J. P. Rodriguez
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