Related papers: Ab initio quantum embedding description of magic a…
Magic-angle twisted bilayer graphene (MATBG) is notable as a highly tunable platform for investigating strongly correlated phenomena such as high-$T_c$ superconductivity and quantum spin liquids, due to easy control of doping level through…
We present an efficient ab initio dynamical mean-field theory (DMFT) implementation for quantitative simulations in solids. Our DMFT scheme employs ab initio Hamiltonians defined for impurities comprising the full unit cell or a supercell…
We argue that moir\'e bilayer graphene at charge neutrality hosts a continuous semimetal-to-insulator quantum phase transition that can be accessed experimentally by tuning the twist angle between the two layers. For small twist angles near…
We introduce a complete physical model for the single-particle electronic structure of twisted bilayer graphene (tBLG), which incorporates the crucial role of lattice relaxation. Our model, based on $k \cdot p$ perturbation theory, combines…
We use self-consistent Hartree-Fock calculations performed in the full $\pi$-band Hilbert space to assess the nature of the recently discovered correlated insulator states in magic-angle twisted bilayer graphene (TBG). We find that gaps…
We show that the electronic structure of the low-energy bands in the small angle-twisted bilayer graphene consists of a series of semi-metallic and topological phases. In particular we are able to prove, using an approximate low-energy…
A detailed understanding of interacting electrons in twisted bilayer graphene (tBLG) near the magic angle is required to gain insights into the physical origin of the observed broken symmetry phases. Here, we present extensive atomistic…
Magic-angle twisted bilayer graphene (MATBG) can host an intriguing variety of gate-tunable correlated states, including superconducting and correlated insulator states. Junction-based superconducting devices, such as Josephson junctions…
In this work we address the re-entrance of magic-angle phenomena (band flatness and quantum-geometric transport) in twisted bilayer graphene (TBG) subjected to strong magnetic fluxes $\pm \Phi_0$, $\pm 2 \Phi_0$, $\pm 3 \Phi_0$... ($\Phi_0…
We study the gate voltage induced gap that occurs in graphene bilayers using \textit{ab initio} density functional theory. Our calculations confirm the qualitative picture suggested by phenomenological tight-binding and continuum models. We…
We decompose the superfluid weight D_s of magic-angle twisted bilayer graphene (MATBG) into conventional (band-velocity) and geometric (interband-coherence) contributions using a band-basis current operator splitting applied to the…
We develop a perturbative renormalization group (RG) theory for the topological heavy fermion (THF) model, describing magic-angle twisted bilayer graphene (MATBG) as an emergent Anderson lattice. Our theory focuses on an energy window where…
The Hamiltonian of the magic-angle twisted symmetric trilayer graphene (TSTG) can be decomposed into a TBG-like flat band Hamiltonian and a high-velocity Dirac fermion Hamiltonian. We use Hartree-Fock mean field approach to study the…
We investigate twisted double bilayer graphene (TDBG), a four-layer system composed of two AB-stacked graphene bilayers rotated with respect to each other by a small angle. Our ab initio band structure calculations reveal a considerable…
The superconducting (SC) state of magic-angle twisted bilayer graphene (MATBG) shows exceptional properties, as it consists of an unprecedentedly small electron (hole) ensemble of only ~ 10 power 11 carriers per square centimeter, which is…
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…
In magic angle twisted bilayer graphene, electron-electron interactions play a central role resulting in correlated insulating states at certain integer fillings. Identifying the nature of these insulators is a central question and…
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…
Recently, Ref. [1] reformulated magic-angle twisted bilayer graphene (MATBG) as a topological heavy fermion problem, and used this reformulation to provide a deeper understanding for the correlated phases at integer fillings. In this work,…
Interactions among electrons and the topology of their energy bands can create novel quantum phases of matter. Most topological electronic phases appear in systems with weak electron-electron interactions. The instances where topological…