Related papers: Truncated atomic plane wave method for the subband…
Motivated by the rapid experimental progress in twisted van der Waals materials, we study the triangular trimer model as a representative framework for extended Wannier orbitals in twisted bilayer graphene at 1/3-filling. This deceptively…
Twisted bilayer graphene is an exciting platform for exploring correlated quantum phases, extremely tunable with respect to both the single-particle bands and the interaction profile of electrons. Here, we investigate the phase diagram of…
We review the theoretical modelling of moir\'e materials, focusing on various aspects of magic-angle twisted bilayer graphene (MA-TBG) viewed through the lens of Hartree-Fock mean-field theory. We first provide an elementary introduction to…
Twisting bilayers of two-dimensional topological insulators has the potential to create unique quantum states of matter. Here, we successfully synthesized a twisted bilayer of germanene on Ge2Pt(101) with a 21.8$^o$ degrees twist angle,…
A grid-based real-space implementation of the Projector Augmented Wave (PAW) method of P. E. Blochl [Phys. Rev. B 50, 17953 (1994)] for Density Functional Theory (DFT) calculations is presented. The use of uniform 3D real-space grids for…
In TDD reciprocity-based massive MIMO it is essential to be able to compute the downlink precoding matrix over all OFDM resource blocks within a small fraction of the uplink-downlink slot duration. Early implementation of massive MIMO are…
Moir\'e phonons describe collective vibrations of a moir\'e superlattice produced by long-wavelength relative displacements of the constituent layers. Despite coming from the backfolding of the acoustic phonons of the individual layers,…
Focusing on the twist angle for the minimal commensurate structure, we perform nonperturbative calculations of electron dynamics in the twisted bilayer graphene (TBG) under intense laser fields. We show that the TBG exhibits enriched…
Twisted bilayer graphene displays many fascinating properties that can be tuned by varying the relative angle (also called twist angle) between its monolayers. As a remarkable feature, both the electronic flat bands and the corresponding…
The rich phenomenology of twisted bilayer graphene (TBG) near the magic angle is believed to arise from electron correlations in topological flat bands. An unbiased approach to this problem is highly desirable, but also particularly…
The electronic structure of the molecular compound (TTM-TTP)I_3, which exhibits a peculiar intra-molecular charge ordering, has been studied using multi-configuration ab initio calculations. First we derive an effective Hubbard-type model…
In this work the effects of defects in the superconducting phases of the twisted bilayer graphene (TBG) are investigated. A will-accepted low energy effective model and a non-magnetic impurity potential to mimic defects are employed.…
We present a computational study of the phonon linewidths in twisted bilayer graphene arising from electron-phonon interactions and anharmonic effects. The electronic structure is calculated using distance-dependent transfer integrals based…
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…
A computationally efficient workflow for obtaining the low-energy symmetric tight-binding Hamiltonians for twisted multilayer systems is presented in this work. We apply this scheme to twisted bilayer graphene at the first magic angle. As…
We study the electronic band structure and the topological property of the twisted double bilayer graphene, or a pair of AB-stacked bilayer graphenes rotationally stacked on top of each other. We consider two different arrangements, AB-AB…
We consider the problem of numerically computing the quantum dynamics of an electron in twisted bilayer graphene. The challenge is that atomic-scale models of the dynamics are aperiodic for generic twist angles because of the…
We study a 2D continuum model of electronic transport in twisted bilayer graphene (TBG) at commensurate angles. We use two honeycomb potentials with the symmetries of graphene, either sharing a common origin (AA stacking) or shifted by a…
The diverse and intriguing phenomena observed in twisted bilayer systems, such as graphene and transition metal dichalcogenides, prompted new questions about the emergent effects that they may host. However, the practical challenge of…
An accurate description of the nonequilibrium dynamics of systems with coupled spin and bosonic degrees of freedom remains theoretically challenging, especially for large system sizes and in higher than one dimension. Phase space methods…