Related papers: Moir\'e band structures of twisted phosphorene bil…
Atomistic first principles many-body computational studies were so far limited by the system size. In this work, we apply and expand the stochastic GW method allowing calculations of quasiparticle energies of giant systems. We introduce…
We develop an effective extended Hubbard model to describe the low-energy electronic properties of the twisted bilayer graphene. By using the Bloch states in the effective continuum model and with the aid of the maximally localized…
An accurate description of the low-energy electronic bands in twisted bilayer graphene (tBLG) is of great interest due to their relation to correlated electron phases, such as superconductivity and Mott-insulator behavior at half-filling.…
The moir\'e superlattice formed by ABC stacked trilayer graphene aligned with a hexagonal boron nitride substrate (TG/h-BN) provides an interesting system where both the bandwidth and the topology can be tuned by an applied perpendicular…
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…
The large surface-to-volume ratio in atomically thin 2D materials allows to efficiently tune their properties through modifications of their environment. Artificial stacking of two monolayers into a bilayer leads to an overlap of…
We investigate the effect of thermal fluctuations on the atomic and electronic structure of a twisted MoSe$_{2}$/WSe$_{2}$ heterobilayer using a combination of classical molecular dynamics and \textit{ab-initio} density functional theory…
First-principles calculations can accurately describe electron-phonon (e-ph) interactions and electronic transport in a wide range of materials, but are currently limited to unit cells with up to $\sim$100 atoms due to computational cost.…
In magic angle twisted bilayer graphene (MATBG), the moir\'e superlattice potential gives rise to narrow electronic bands1 which support a multitude of many-body quantum phases. Further richness arises in the presence of a perpendicular…
We investigate the moir\'e band structures and the strong correlation effects in twisted bilayer MoTe$_2$ for a wide range of twist angles, employing a combination of various techniques. Using large-scale first principles calculations, we…
Utilizing the realistic continuum description of twisted bilayer MoTe2 and many-body exact diagonalization calculation, we establish that the second moir\'e band of twisted bilayer MoTe2, at a small twist angle of approximately 2{\deg},…
The electronic properties of the twisted InSe bilayer are studied by large-scale density functional theory. Spectral Function Unfolding reveals that the electronic structure of the twisted system can be described in terms of a combination…
In this paper, we propose an extended plane wave framework to make the electronic structure calculations of the twisted bilayer 2D material systems practically feasible. Based on the foundation in [Y. Zhou, H. Chen, A. Zhou, J. Comput.…
We study the transition of $\nu=1/3$ and $2/5$ fractional quantum Hall states of the honeycomb Hofstadter model as we tune to a two-orbital moir\'e superlattice Hamiltonian, motivated by the flat bands of twisted bilayer graphene in a…
We study twisted bilayer WSe$_2$ within a continuum moir\'e model and introduce a method for treating finite geometries directly in the continuum framework, overcoming limitations associated with momentum-space formulations and Wannier…
Moir\'e superlattices formed in van der Waals bilayers have enabled the creation and manipulation of new quantum states, as is exemplified by the discovery of superconducting and correlated insulating states in twisted bilayer graphene near…
We theoretically study the Hofstadter butterfly of a triangular network model in minimally twisted bilayer graphene (mTBLG). The band structure manifests periodicity in energy, mimicking that of Floquet systems. The butterfly diagrams…
Symmetry considerations suggest that moire superlattices formed by twisted two-dimensional materials should preserve overall inversion symmetry. However, experiments consistently report robust ferroelectricity in systems such as twisted…
Twisted bilayer graphene provides a paradigmatic platform for exploring the interplay between electronic topology and strong correlations. Within the topological heavy fermion model [Song and Bernevig, Phys. Rev. Lett. 129, 047601 (2022)],…
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…