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The hybrid graphene - hexagonal boron nitride (G-hBN) systems offer new routes in the design of nanoscale electronic devices. Using {\it ab initio} density functional theory calculations we investigate the dynamics of zig-zag nanoribbons a…
Using first principles calculations, we studied a new class of graphdiyne nanoribbons (GDYNR) with open hexagonal rings on the edges.To avoid the effects from dangling bond, hydrogen or oxygen atoms were absorbed on the edges. There are two…
In the presence of a finite interlayer displacement field bilayer graphene has an energy gap that is dependent on stacking and largest for the stable AB and BA stacking arrangements. When the relative orientations between layers are twisted…
Lateral heterostructures of two-dimensional materials may exhibit various intriguing emergent properties. Yet when specified to the orientationally aligned heterojunctions of zigzag graphene and hexagonal boron nitride (hBN) nanoribbons,…
By investigating the optoelectronic properties of prototypical graphene/hexagonal boron nitride (h-BN) heterostructures, we demonstrate how a nanostructured combination of these materials can lead to a dramatic enhancement of light-matter…
In this paper a systematic examination of graphene/hexagonal boron nitride (g/hBN) bilayers is presented, through a recently developed two-dimensional phase field crystal model that incorporates out-of-plane deformations. The system…
We examine the electronic structure of recently fabricated in-plane heterojunctions of zigzag graphene nanoribbons embedded in hexagonal boron nitride. We focus on hitherto unexplored interface configurations in which both edges of the…
The substrate material of monolayer graphene influences the charge carrier mobility by various mechanisms. At room temperature, the scattering of conduction electrons by phonon modes localized at the substrate surface can severely limit the…
We demonstrate that the electronic gap of a graphene bilayer can be controlled externally by applying a gate bias. From the magneto-transport data (Shubnikov-de Haas measurements of the cyclotron mass), and using a tight binding model, we…
Motivated by the recently observed insulating states in twisted bilayer graphene, we study the nature of the correlated insulating phases of the twisted bilayer graphene at commensurate filling fractions. We use the continuum model and…
In this letter, we propose the resonant tunneling diode (RTD) based on a double-barrier graphene/boron nitride (BN) heterostructure as device suitable to take advantage of the elaboration of atomic sheets containing different domains of BN…
A fundamental building block in nano-photonics is the ability to directionally excite highly squeezed optical mode dynamically, particularly with an electrical bias. Such capabilities would enable the active manipulation of light…
A dramatic difference between the vertical thermal conductance response of homogeneous and heterogeneous graphene/h-BN interfaces to external mechanical perturbations, is predicted. Homogeneous graphene and h-BN interfaces exhibit strong…
The atomically-precise controlled synthesis of graphene stripes embedded in hexagonal boron nitride opens up new possibilities for the construction of nanodevices with applications in sensing. Here, we explore properties related to…
The ground state of a graphene sheet at charge neutrality in a perpendicular magnetic field remains enigmatic, with various experiments supporting canted antiferromagnetic, bond ordered, and even charge density wave phases. A promising…
The van der Waals heterostructures of two-dimensional (2D) atomic crystals constitute a new paradigm in nanoscience. Hybrid devices of graphene with insulating 2D hexagonal boron nitride (h-BN) have emerged as promising nanoelectronic…
Natural and resonant oscillations of suspended circular graphene and hexagonal boron nitride (h-BN) membranes (single-layer sheets lying on a flat substrate having a circular hole of radius $R$) have been simulated using full-atomic models.…
At partial fillings of its flat electronic bands, magic-angle twisted bilayer graphene (MATBG) hosts a rich variety of competing correlated phases that show sample to sample variations. Divergent phase diagrams in MATBG are often attributed…
We introduce a model for amorphous grain boundaries in graphene, and find that stable structures can exist along the boundary that are responsible for local density of states enhancements both at zero and finite (~0.5 eV) energies. Such…
Hexagonal boron nitride (hBN) is the supporting substrate of choice for two-dimensional material devices because it is atomically flat and chemically inert. However, due to the small size of mechanically exfoliated hBN flakes, electronic…