The unique ability of carbon atoms to participate in robust covalent bonds with other carbon
atoms in diverse hybridization states (sp, sp 2, sp 3) or with nonmetallic elements enables …

This article reviews the theoretical and experimental work related to the electronic properties
of bilayer graphene systems. Three types of bilayer stackings are discussed: the AA, AB, and …

The possibility that non-magnetic materials such as carbon could exhibit a novel type of s–p
electron magnetism has attracted much attention over the years, not least because such …

A moiré pattern is formed when two copies of a periodic pattern are overlaid with a relative
twist. We address the electronic structure of a twisted two-layer graphene system, showing …

We address the effective tight-binding Hamiltonian that describes the insulating Mott state of
twisted graphene bilayers at a magic angle. In that configuration, twisted bilayers form a …

The continuum model of the twisted graphene bilayer [Lopes dos Santos, Peres, and Castro
Neto, Phys. Rev. Lett. 99, 256802 (2007) PRLTAO 0031-9007 10.1103/PhysRevLett …

We consider a graphene bilayer with a relative small angle rotation between the layers—a
stacking defect often seen in the surface of graphite—and calculate the electronic structure …

Interatomic potentials approximate the potential energy of atoms as a function of their
coordinates. Their main application is the effective simulation of many-atom systems. Here …

A study based on ab initio calculations is presented on the structural, elastic, and vibrational
properties of single-wall carbon nanotubes with different radii and chiralities. These …

The scope of this article is to present an overview of the Density Functional based Tight
Binding (DFTB) method and its applications. The paper introduces the basics of DFTB and …