Related papers: Graphene-hBN interlayer interactions from quantum …
Optical conductivity of graphene is studied using Quantum Monte Carlo calculations. We start from Euclidean current-current correlator and extract $\sigma (\omega)$ from Green-Kubo relations using Backus-Gilbert method. Calculations were…
We demonstrate that the electronic, thermal, and optical properties of a graphene bilayer with boron and nitrogen dopant atoms can be controlled by the interlayer distance between the layers in which the interaction energy and the van der…
We introduce an interatomic potential for hexagonal boron nitride (hBN) based on the Gaussian approximation potential (GAP) machine learning methodology. The potential is based on a training set of configurations collected from density…
The question of whether electron-electron interactions can drive a metal to insulator transition in graphene under realistic experimental conditions is addressed. Using three representative methods to calculate the effective long-range…
Monolayer lateral heterostructure of graphene and hexagonal boron nitride (h-BNC) has attracted a growing attention mainly due to its tunable band-gap character and unique physical properties at interface. Hereby, we reported the first-time…
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…
Twisted bilayer graphene (TBG) exhibits a wide range of intriguing physical properties, such as superconductivity, ferromagnetism, and superlubricity. Depending on the twist angle, periodic moir\'e superlattices form in twisted bilayer…
Electron-electron interaction is fundamental in condensed matter physics and can lead to composite quasiparticles called plasmarons, which strongly renormalize the dispersion and carry information of electron-electron coupling strength as…
We perform extensive first-principles calculations for heterostructures composed of monolayer graphene and hexagonal boron nitride (hBN). Employing a symmetry-derived minimal tight-binding model, we extract orbital and spin-orbit coupling…
Electronic properties of the graphene layer sandwiched between two hexagonal boron nitride sheets have been studied using the first-principles calculations and the minimal tight-binding model. It is shown that for the ABC-stacked structure…
The structural relaxation of multilayer graphene is essential in describing the interesting electronic properties induced by intentional misalignment of successive layers, including the recently reported superconductivity in twisted bilayer…
The quality of graphene in nanodevices has increased hugely thanks to the use of hexagonal boron nitride as a supporting layer. This paper studies to which extent hBN together with channel length scaling can be exploited in graphene field…
Bilayer graphene (BLG) with a tunable bandgap appears interesting as an alternative to graphene for practical applications, thus its transport properties are being actively pursued. Using density functional theory and perturbation analysis,…
The Quantum Twisting Microscope (QTM) is a groundbreaking instrument that enables energy- and momentum-resolved measurements of quantum phases via tunneling spectroscopy across twistable van der Waals heterostructures. In this work, we…
Semiconductor artificial graphene nanostructures where Hubbard model parameter $U/t$ can be of the order of 100, provide a highly controllable platform to study strongly correlated quantum many-particle phases. We use accurate variational…
We investigate key electrical properties of monolayer graphene assembled by chemical-vapor-deposition (CVD) as impacted by supporting substrate material. Graphene field-effect transistors (GFETs) were fabricated with carbon channel placing…
We use first-principle density functional theory (DFT) to study the transport properties of single and double barrier heterostructures realized by stacking multilayer h-BN or BC$_{2}$N, and graphene films between graphite leads. The…
Graphene plasmons were predicted to possess ultra-strong field confinement and very low damping at the same time, enabling new classes of devices for deep subwavelength metamaterials, single-photon nonlinearities, extraordinarily strong…
We use a tight binding approach and density functional theory calculations to study the band structure of graphene/hexagonal boron nitride bilayer system in the most stable configuration. We show that an electric field applied in the…
We report an implementation of the momentum space quantum Monte Carlo (QMC) method on the interaction model for the twisted bilayer graphene (TBG) at integer fillings. The long-range Coulomb repulsion is treated exactly with the flat bands,…