Related papers: Ab initio quantum embedding description of magic a…
Twisted bilayer graphene (TBG) is remarkable for its topological flat bands, which drive strongly-interacting physics at integer fillings, and its simple theoretical description facilitated by the Bistritzer-MacDonald Hamiltonian, a…
We discuss the effect of long-range interactions within the self-consistent Hartree-Fock (HF) approximation in comparison to short-range atomic Hubbard interactions on the band structure of twisted bilayer graphene (TBG) at charge…
We present an accurate \textit{ab-initio} tight-binding hamiltonian for the transition-metal dichalcogenides, MoS$_2$, MoSe$_2$, WS$_2$, WSe$_2$, with a minimal basis (the \textit{d} orbitals for the metal atoms and \textit{p} orbitals for…
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.…
Using density functional theory (DFT), Hartree-Fock, exact diagonalization, and numerical renormalization group methods we study the electronic structure of diluted hydrogen atoms chemisorbed on graphene. A comparison between DFT and…
The ground states of twisted bilayer graphene (TBG) at chiral and flat-band limit with integer fillings are known from exact solutions, while their dynamical and thermodynamical properties are revealed by unbiased quantum Monte Carlo (QMC)…
Magic-angle twisted bilayer graphene exhibits a panoply of many-body phenomena that are intimately tied to the appearance of narrow and well-isolated electronic bands. The microscopic ingredients that are responsible for the complex…
Twisted bilayer graphene (TBLG) has emerged as an important platform for studying correlated phenomena, including unconventional superconductivity, in two-dimensional systems. The complexity of the atomic-scale structures in TBLG has made…
Quantum Hall (QH) interferometry provides an archetypal platform for the experimental realization of braiding statistics of fractional QH states. However, the complexity of observing fractional statistics requires phase coherence over the…
One of the most remarkable theoretical findings in magic angle twisted bilayer graphene (TBG) is the emergence of ferromagnetic Slater determinants as exact ground states for the interacting Hamiltonian at the chiral limit. This discovery…
Magic-angle twisted bilayer graphene (MATBG) exhibits correlated phenomena such as superconductivity and Mott insulating state related to the weakly dispersing flat band near the Fermi energy. Beyond its moir\'e period, such flat band is…
We studied the real space structure of states in twisted bilayer graphene at the `magic angle' $\theta = 1.08^\circ$. The flat bands close to charge neutrality are composed of a mix of `ring' and `center' orbitals around the AA stacking…
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,…
A procedure is presented that combines density functional theory computations of bulk semiconductor alloys with the semiconductor Bloch equations, in order to achieve an ab initio based prediction of the optical properties of semiconductor…
A number of interesting physical phenomena have been discovered in magic-angle twisted bilayer graphene (MATBG), such as superconductivity, correlated gapped and gapless phases, etc. The gapped phases are believed to be symmetry-breaking…
Van der Waals (vdW) heterostructures are an emergent class of metamaterials comprised of vertically stacked two-dimensional (2D) building blocks, which provide us with a vast tool set to engineer their properties on top of the already rich…
Moir\'e structures formed by twisting three layers of graphene with two independent twist angles present an ideal platform for studying correlated quantum phenomena, as an infinite set of angle pairs is predicted to exhibit flat bands.…
The long wavelength moir\'e superlattices in twisted 2D structures have emerged as a highly tunable platform for strongly correlated electron physics. We study the moir\'e bands in twisted transition metal dichalcogenide homobilayers,…
We study the correlated insulating phases of twisted bilayer graphene (TBG) in the absence of lattice strain at integer filling $\nu=\pm3$. Using the self-consistent Hartree-Fock method on a particle-hole symmetric model and allowing…
We derive the explicit Hamiltonian of twisted bilayer graphene (TBG) with Coulomb interaction projected into the flat bands, and study the symmetries of the Hamiltonian. First, we show that all projected TBG Hamiltonians can be written as…