Related papers: Group theory for structural analysis and lattice v…
We employ group theory to study the properties of the lattice vibrations and magnetic order in the antiferromagnetic topological insulator MnBi$_2$Te$_4$, both in bulk and few-layer form. In the paramagnetic phase, we obtain the…
In this work we study the symmetry properties of electrons and phonons in graphene systems as function of the number of layers. We derive the selection rules for the electron-radiation and for the electron-phonon interactions at all points…
Isotopic effects are relevant to understand several properties of solids, and have been thoroughly analyzed along the years. These effects may depend on the dimensionality of the considered solid. Here we assess their magnitude for…
We present a scheme to categorize the structure of different layered phosphorene allotropes by mapping their non-planar atomic structure onto a two-color 2D triangular tiling pattern. In the buckled structure of a phosphorene monolayer, we…
Bilayer graphene has been a subject of intense study in recent years. We extend a structural phase field crystal method to include an external potential from adjacent layer(s), which is generated by the corresponding phase field and changes…
In the era of 2D and quasi-2D quantum materials one needs to model strain at the level of the Hamiltonian as opposed to a semi-classical approach. Corrections to the electronic Hamiltonian due to strain arise from two sources: deformations…
Emergent Dirac fermion states underlie many intriguing properties of graphene, and the search for them constitute one strong motivation to explore two-dimensional (2D) allotropes of other elements. Phosphorene, the ultrathin layers of black…
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…
We present a theoretical framework for nonlinear optics of graphene and other 2D materials in layered structures. We derive a key equation to find the effective electric field and the sheet current density in the 2D material for given…
We study the effect of atomic relaxation on the structure of moir\'e patterns in twisted graphene on graphite and double layer graphene by large scale atomistic simulations. The reconstructed structure can be described as a superlattice of…
Transition metal dichalcogenides (TMDCs) have emerged as a new two dimensional materials field since the monolayer and few-layer limits show different properties when compared to each other and to their respective bulk materials. For…
Using tight binding model, lattice QFT and group theory methods, we study a class of lattice QFT models that are cousins of graphene; and which are classified by finite dimensional ADE Lie groups containing the usual crystallographic…
The two-dimensional carbon allotrope graphene has recently attracted a lot of attention from researchers in the disciplines of Lattice Field Theory, Lattice QCD and Monte Carlo calculations. This interest has been prompted by several…
In this paper, the tiling of the Euclidean plane with regular hexagons whose vertices are occupied by carbon atoms is called the graphene. We describe six different ways to generate the graphene by the means of group theory. There are two…
The physics of graphene is acting as a bridge between quantum field theory and condensed matter physics due to the special quality of the graphene quasiparticles behaving as massless two dimensional Dirac fermions. Moreover, the particular…
Graphynes and graphdiynes are generic names for families of two-dimensional carbon allotropes, where acetylenic groups connect benzenoid-like hexagonal rings, with the co-existence of sp and sp2 hybridized carbon atoms. The main differences…
In-plane nonlinear delocalized vibrations in uniformly stretched single-layer graphene (space group P6mm) are considered with the aid of the group-theoretical methods. These methods were developed by authors earlier in the framework of the…
Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and…
Strain is prominent in fabricated samples of two-dimensional semiconductors and it also serves as an exploitable tool for engineering their properties. However, quantifying strain and characterizing its spatially inhomogeneous distribution…
The electron-phonon interaction in monolayer graphene is investigated by using density functional perturbation theory. The results indicate that the electron-phonon interaction strength is of comparable magnitude for all four in-plane…