Related papers: Moir\'e patterns and inversion boundaries in graph…
The interaction between graphene and hexagonal boron nitride (hBN) plays a pivotal role in determining the electronic and structural properties of graphene-based devices. In this work, we employ quantum Monte Carlo (QMC) to study the…
We provide a formal derivation of a reduced model for twisted bilayer graphene (TBG) from Density Functional Theory. Our derivation is based on a variational approximation of the TBG Kohn-Sham Hamiltonian and asymptotic limit techniques. In…
Spatially periodic structures with a long range period, referred to as moir\'e pattern, can be obtained in van der Waals bilayers in the presence of a small stacking angle or of lattice mismatch between the monolayers. Theoretical…
Van der Waals (vdW) heterostructures consisting of Bernal bilayer graphene (BLG) and hexagonal boron nitride (hBN) are investigated. By performing first-principles calculations we capture the essential BLG band structure features for…
In the field of van der Waals heterostructures, the twist angle between stacked two-dimensional (2D) layers has been identified to be of utmost importance for the properties of the heterostructures. In this context, we previously reported…
Twisted double bilayer graphene has recently emerged as an interesting moir\'e material that exhibits strong correlation phenomena that are tunable by an applied electric field. Here we study the atomic and electronic properties of three…
Twisted bilayer graphene exhibits electronic properties that are highly correlated with the size and arrangement of moir\'e patterns. While rigid rotation of two layers creates the topology of moir\'e patterns, local rearrangements of the…
Hexagonal boron nitride (h-BN) and graphite are structurally similar but with very different properties. Their combination in graphene-based devices meets now a huge research focus, and it becomes particularly important to evaluate the role…
Researchers are currently exploring nanoporous two-dimensional materials, such as hexagonal boron nitride (hBN), as potential desalination membranes. Here, we study the effect of grain boundaries (GBs) and interfacial electrostatic…
A recent experiment reported a large anomalous Hall effect in Magic Angle Twisted Bilayer Graphene (TBG) aligned with a hexagonal boron nitride(h-BN) substrate at $\frac{3}{4}$ filling of the conduction band. In this paper we study this…
When monolayer graphene is crystallographically aligned to hexagonal boron nitride (BN), a moir\'e superlattice is formed, producing characteristic satellite Dirac peaks in the electronic band structure. Aligning a second BN layer to…
Graphene has demonstrated great promise for future electronics technology as well as fundamental physics applications because of its linear energy-momentum dispersion relations which cross at the Dirac point. However, accessing the physics…
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…
Moir\'e superlattices formed by vertically stacking van der Waals layers host a rich variety of correlated electronic phases and function as novel photonic materials. The moir\'e potential of the superlattice, however, is fixed by the…
Graphene devices on standard SiO2 substrates are highly disordered, exhibiting characteristics far inferior to the expected intrinsic properties of graphene[1-12]. While suspending graphene above the substrate yields substantial improvement…
We derive electronic structure models for weakly interacting bilayers such as graphene-graphene and graphene-hexagonal boron nitride, based on density functional theory calculations followed by Wannier transformation of electronic states.…
The interlayer sliding energy landscape of hexagonal boron nitride (h-BN) is investigated via a van der Waals corrected density functional theory approach. It is found that the main role of the van der Waals forces is to "anchor" the layers…
Twisted bilayer graphene (tBLG) has emerged as a promising platform to explore exotic electronic phases. However, the formation of moir\'e patterns in tBLG has thus far been confined to the introduction of twist angles between the layers.…
Spontaneous symmetry-breaking, where the ground state of a system has lower symmetry than the underlying Hamiltonian, is ubiquitous in physics. It leads to multiply-degenerate ground states, each with a different "broken" symmetry labeled…
Moir\'e structures in small-angle-twisted bilayers of two-dimensional semiconductors with a broken-symmetry interface form arrays of ferroelectric domains with periodically alternating out-of-plane polarization. Here, we propose a network…