Related papers: Hybrid-functional electronic structure of multilay…
We propose a novel analytical model for anisotropic multi-layer cylindrical structures containing graphene layers. The general structure is formed by an aperiodic repetition of a three-layer sub-structure, where a graphene layer, with an…
Heavy fermion systems, traditionally realized in rare-earth compounds with limited tunability, have hindered systematic exploration of correlated quantum phenomena. Here, we introduce a general strategy for engineering heavy fermions in…
Both single layer Ga2O3 (SLGO) and graphene are attractive due to their respective electronic and mechanical properties such as wide bandgap and high electrical conductivity. Bringing them together by using van der Waals force to form a…
Twisted van der Waals heterostructures with flat electronic bands have recently emerged as a platform for realizing correlated and topological states with an extraordinary degree of control and tunability. In graphene-based moir\'e…
The application of the chiral decomposition procedure to hybrid graphene h-BN systems revealed rules for the partition of the system into effective subsystems being bilayers plus monolayer in case the number of layers is odd. Three types of…
We show that the low-energy electronic structure of arbitrarily stacked graphene multilayers with nearest-neighbor interlayer tunneling consists of chiral pseudospin doublets. Although the number of doublets in an $N$-layer system depends…
Motivated by the recent discoveries of superconductivity in bilayer and trilayer graphene, we theoretically investigate superconductivity and other interaction-driven phases in multilayer graphene stacks. To this end, we study the density…
Since the advent of graphene, a variety of studies have been performed to elucidate its fundamental physics, or to explore its practical applications. Gate-tunable resistance is one of the most important properties of graphene and has been…
Density functional theory simulations with conventional (PBE) and hybrid (HSE06) functionals were performed to investigate the structural and electronic properties of MXene monolayers, \ce{Ti_{n+1}C_n} and \ce{Ti_{n+1}N_n} ($n$ = 1--9) with…
Structural, energetic and tribological characteristics of double-layer graphene with commensurate and incommensurate krypton spacers of nearly monolayer coverage are studied within the van der Waals-corrected density functional theory. It…
Polytypes of tetralayer graphene (TLG: Bernal, rhombohedral and mixed stacking) are crystalline structures with different symmetries. Among those, mixed-stacking tetralayers lack inversion symmetry, which allows for intrinsic spontaneous…
Stacking order plays a crucial role in determining the crystal symmetry and has significant impacts on electronic, optical, magnetic, and topological properties. Electron-phonon coupling, which is central to a wide range of intriguing…
Electronic properties of surface areas decoupled from graphite are studied using scanning tunnelling microscopy and spectroscopy. We show that it is possible to identify decoupled graphene monolayer, Bernal bilayer, and Bernal trilayer on…
We describe the electronic conductivity, as a function of the Fermi energy, in the Bernal bilayer graphene (BLG) in presence of a random distribution of vacancies that simulate resonant adsorbates. We compare it to monolayer (MLG) with the…
Hybrid two-dimensional (2D) materials have attracted increasing interest as platforms for tailoring electronic properties through interfacial design. Very recently, a novel hybrid 2D material termed glaphene, which combines monolayers of 2D…
First-principles calculation has been performed to investigate the stability and electronic properties of double-layer graphene heterostructure (DLGH). In this system, two graphene layers are separated by hexagonal boron-nitride (h-BN)…
We present a systematic study that clarifies validity and limitation of current hybrid functionals in density functional theory for structural and electronic properties of various semiconductors and insulators. The three hybrid functionals,…
Rhombohedral multilayer graphene, with its flat electronic bands and concentrated Berry curvature, is a promising material for the realization of correlated topological phases of matter. When aligned to an adjacent hexagonal boron nitride…
The in-plane optical phonons around 200 meV in few-layer graphene are investigated utilizing infrared absorption spectroscopy. The phonon spectra exhibit unusual asymmetric features characteristic of Fano resonances, which depend critically…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…