Related papers: Relaxation Effects in Twisted Bilayer Graphene: a …
The emergence of flat electronic bands and of the recently discovered strongly correlated and superconducting phases in twisted bilayer graphene crucially depends on the interlayer twist angle upon approaching the magic angle $\theta_M…
Stacked graphene multilayers with a small relative twist angle between each of the layers have been found to host flat bands at a series of magic angles. We consider the effect that Dirac point asymmetry between the layers, and in…
In twisted bilayer graphene (TBG), a twist-angle-dependent competition between interlayer stacking energy and intralayer elastic energy results in flat rigid layers at large twist angles and lattice reconstruction at small twist angles.…
In this work, we study structural and vibrational properties of multilayer graphene using density-functional theory (DFT) with van der Waals (vdW) functionals. Initially, we analyze how different vdW functionals compare by evaluating the…
Tailoring the interlayer twist angle of bilayer graphene (BLG) has a significant influence on its electronic properties, including superconductivity, topological transitions, ferromagnetic states and correlated insulating states. These…
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…
The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory (DFT) total-energy calculations and…
We numerically investigate the electronic transport properties between two mesoscopic graphene disks with a twist by employing the density functional theory coupled with non-equilibrium Green's function technique. By attaching two graphene…
By using the first-principles method based on density of functional theory, we study the electronic properties of twisted bilayer graphene with some specific twist angles and interlayer spacings. With the decrease of the twist angle(the…
Recent research on twisted bilayer graphene (TBG) uncovered that its twist-angle-dependent electronic structure leads to a host of unique properties, such as superconductivity, correlated insulating states, and magnetism. The flat bands…
The production of multiple types of graphene, such as free standing, epitaxial graphene on silicon carbide and metals, graphene in solution, chemically grown graphene-like molecules, various graphene nanoribbons, and graphene oxide with…
Inter-twisted bilayers of two-dimensional (2D) materials can host low-energy flat bands, which offer opportunity to investigate many intriguing physics associated with strong electron correlations. In the existing systems, ultra-flat bands…
Twisted bilayer graphene (TBG) features strongly correlated and topological phases due to its flat bands emerging near the magic angle. However, the effects of the non-Hermiticity, arising from the coupling to the environment and…
We study the stability and electronic structure of magic-angle twisted bilayer graphene on the hexagonal boron nitride (TBG/BN). Full relaxation has been performed for commensurate supercells of the heterostructures with different twist…
We investigate the domain wall network in twisted bilayer graphene (TBG) under the influence of interlayer bias and screening effect from the layered structure. Starting from the continuum model, we analyze the low-energy domain wall modes…
We combine high-level theoretical and \emph{ab initio} understanding of graphite to develop a simple, parametrised force-field model of interlayer binding in graphite, including the difficult non-pairwise-additive coupled-fluctuation…
Magic-angle twisted bilayer graphene (MA-tBLG) has appeared as a tunable testing ground to investigate the conspiracy of electronic interactions, band structure, and lattice degrees of freedom to yield exotic quantum many-body ground states…
For twisted bilayer graphene close to magic angle, we show that the effects of lattice relaxation and the Hartree interaction both become simultaneously important. Including both effects in a continuum theory reveals a Lifshitz transition…
We present a theoretical study of the intrinsic plasmonic properties of twisted bilayer graphene (TBG) as a function of the twist angle $\theta$ (and other microscopic parameters such as temperature and filling factor). Our calculations,…
We determine the optical properties of gated bilayer graphene quantum dots with trigonal warping (TW) of single-particle energy spectra. The lateral structure of metallic gates confines electrons and holes in a quantum dot (QD)…