相关论文: Analytical Model for Atomic Relaxation in Twisted …
Twisted 2D bilayer materials are created by artificial stacking of two monolayer crystal networks of 2D materials with a desired twisting angle $\theta$. The material forms a moir\'e superlattice due to the periodicity of both top and…
Twisted bilayers of two-dimensional (2D) materials have emerged as a highly tunable platform to study and engineer properties of excitons. However, the atomistic description of these properties has remained a significant challenge as a…
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…
Twisting bilayers of transition metal dichalcogenides (TMDs) gives rise to a periodic moir\'{e} potential resulting in flat electronic bands with localized wavefunctions and enhanced correlation effects. In this work, scanning tunneling…
In this work, we present a theoretical research on the lattice relaxations, phonon properties, and relaxed electronic structures in magic-angle twisted bilayer graphene (TBG). We construct a continuum elastic model in order to study the…
We present efficient angle-dependent low-energy Hamiltonians to describe the properties of the twisted bilayer graphene (tBLG) heterostructure, based on {\it ab initio} calculations of mechanical relxation and electronic structure. The…
We present simple models to describe the in-plane and the out-of-plane lattice relaxation in twisted bilayer and symmetrically twisted trilayer graphene. Analytical results and series expansions show that for twist angles {\theta} > 1…
We systematically explore the structural and electronic properties of twisted trilayer graphene systems. In general, these systems are characterized by two twist angles, which lead to two incommensurate moir\'{e} periods. We show that…
We theoretically study the lattice relaxation in the twisted bilayer graphene (TBG) and its effect on the electronic band structure. We develop an effective continuum theory to describe the lattice relaxation in general TBGs and obtain the…
Observation of strong correlations and superconductivity in twisted-bilayer-graphene have stimulated tremendous interest in fundamental and applied physics. In this system, the superposition of two twisted honeycomb lattices, generating a…
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…
Moir\'{e} superlattices in twisted bilayer graphene and transition-metal dichalcogenides have emerged as a powerful tool for engineering novel band structures and quantum phases of two-dimensional quantum materials. Here we investigate…
We present comprehensive theoretical studies on the lattice relaxation and the electronic structures in general non-symemtric twisted trilayer graphenes. By using an effective continuum model, we show that the relaxed lattice structure…
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 $\theta$,…
Twisted bilayer graphene (TBG) has drawn significant interest due to recent experiments which show that TBG can exhibit strongly correlated behavior such as the superconducting and correlated insulator phases. Much of the theoretical work…
Twisted 2D materials exhibit unique vibrational modes called moir\'e phonons, which arise from the moir\'e superlattice. Here, we demonstrate atom-by-atom imaging of phasons, an ultrasoft class of moir\'e phonons in twisted bilayer WSe2.…
Encapsulation protects functional layers, ensuring structural stability and improving the quality of assembled van der Waals heterostructures. Here, we develop a model that describes lattice relaxation in twisted bilayers accounting for…
We present a comprehensive first-principles study of twisted bilayer graphene (tBLG) for a wide range of twist angles, with a focus on structural and electronic properties. By employing density functional theory (DFT) with an optimized…
The creation of moir\'e superlattices in twisted bilayers of two-dimensional crystals has been utilised to engineer quantum material properties in graphene and transition metal dichalcogenide (TMD) semiconductors. Here, we examine the…
One-dimensional (1D) moir\'e superlattices provide a new route to engineering reduced-dimensional electronic states in van der Waals materials, yet their electronic structure and microscopic origin remain largely unexplored. Here, we…