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The nature of the insulating and superconducting states in twisted bilayer graphene systems is intensely debated. While many works seek for explanations in the few flat bands near the Fermi level, theory and a number of experiments suggest…
Motivated by recent discovery of correlated insulating and superconducting behavior in twisted bilayer graphene, we revisit graphene's honeycomb lattice doped close to the van Hove singularity, using the truncated unity functional…
Based on first-principles calculations we predict that periodically repeated junctions of armchair graphene nanoribbons of different widths form superlattice structures. In these superlattice heterostructures the width and the energy gap…
We propose a class of graphene nanoribbons showing strong intrinsic ferromagnetic behavior due to their asymmetry. Such ribbons are based on a zig-zag edged backbone surmounted by a periodic, triangular notched region of variable size. The…
We propose a class of graphene-based moir\'e systems hosting flat bands on kagome and honeycomb moir\'e superlattices. These systems are formed by stacking a graphene layer on a 2D substrate with lattice constant approximately $\sqrt{3}$…
Armchair and zigzag edge terminations in planar hexagonal and trigonal graphene nanorings are shown to underlie one-dimensional topological states associated with distinctive energy gaps and patterns (e.g., linear dispersion of the energy…
Graphene/MoS2 heterostructures are formed by combining the nanosheets of graphene and monolayer MoS2. The electronic features of both constituent monolayers are rather well-preserved in the resultant heterostructure due to the weak van der…
We study the electronic band structure of three-dimensional ABC-stacked (rhombohedral) graphdiyne, which is a new planar carbon allotrope recently fabricated. Using the first-principles calculation, we show that the system is a nodal-line…
Recently, it was predicted that an RKKY-type interaction between adatoms in graphene can drive an ordering transition to a state with broken sublattice symmetry (arXiv:1004.3678). In this state, due to Bragg scattering of electron waves on…
This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properties are greatly diversified by the number of layers, the…
The magnetic correlations in the quasi-two dimensional spin-1/2 square-lattice system Zn2VO(PO4)2 have been investigated by neutron diffraction technique. A long-range antiferromagnetic (AFM) ordering below 3.75 K (TN) has been observed…
We present a new scenario for the breakdown of ferromagnetic order in a two-dimensional quantum magnet with competing ferromagnetic and antiferromagnetic interactions. In this, dynamical effects lead to the formation of two-magnon bound…
CoPt or FePt equiatomic alloys order according to the tetragonal L10 structure which favors their strong magnetic anisotropy. Conversely magnetism can influence chemical ordering. We present here {\it ab initio} calculations of the…
We develop an effective tight-binding Hamiltonian for spin-orbit (SO) interaction in bent carbon nanotubes (CNT) for the electrons forming the $\pi$ bonds between the nearest neighbor atoms. We account for the bend of the CNT and the…
We discuss the fixed-point Hamiltonian and the spectrum of excitations of a quasi-bidimensional electronic system supporting simultaneously antiferromamagnetic ordering and superconductivity. The coexistence of these two order parameters in…
We present an unrestricted Hartree-Fock computation of charge-ordering instabilities of two-dimensional metals with antiferromagnetic exchange interactions, allowing for arbitrary ordering wavevectors and internal wavefunctions of the…
Periodicity is one of the most fundamental structural characteristics of systems occurring in nature. The properties of these systems depend strongly on the symmetry of the underlying periodic structure. In solid state materials - for…
In this paper a comparative study of the electronic and magnetic properties of quasi-two-dimensional electrons in an artificial graphene-like superlattice composed of circular and elliptical quantum dots is presented. A complete orthonormal…
We argue that doped twisted bilayer graphene with magical twist angle can become superconducting. In our theoretical scenario, the superconductivity coexists with the spin-density-wave-like ordering. Numerical mean-field analysis…
The interaction between two different materials can present novel phenomena that are quite different from the physical properties observed when each material stands alone. Strong electronic correlations, such as magnetism and…