Related papers: Crystallization for a Brenner-like potential
Computer experiments concerning interactions between a graphite surface and the rigid pyramidal nanoasperity of a friction force microscope tip when it is brought close to and retracted from the graphitic sample are presented. Covalent…
The low-energy theory of interacting electrons on graphene's two-dimensional honeycomb lattice is derived and discussed. In particular, the Hubbard model in the large-N limit is shown to have a semi-metal - antiferromagnetic insulator…
Due to Klein tunneling, electrostatic confinement of electrons in graphene is not possible. This hinders the use of graphene for quantum dot applications. Only through quasi-bound states with finite lifetime has one achieved to confine…
The power of polymorphism in carbon is vividly manifested by the numerous applications of carbon-based nano-materials. Ranging from environmental issues to biomedical applications, it has the potential to address many of today's dire…
The ground state structural and electronic properties of germanene (the germanium analogue of graphene) are investigated using first-principles calculations. On structure optimization, the graphene-like honeycomb structure of germanene…
Monolayer and multilayer graphene are promising materials for applications such as electronic devices, sensors, energy generation and storage, and medicine. In order to perform large-scale atomistic simulations of the mechanical and thermal…
We introduce effective field theories for the electronic properties of graphene in terms of relativistic fermions propagating in 2+1 dimensions, and outline how strong inter-electron interactions may be modelled by numerical simulation of a…
Graphene is a gapless semiconductor in which conduction and valence band wavefunctions differ only in the phase difference between their projections onto the two sublattices of the material's two-dimensional honeycomb crystal structure. We…
Graphene, a two-dimensional honeycomb lattice of carbon atoms, is of great interest in (opto)electronics and plasmonics and can be obtained by means of diverse fabrication techniques, among which chemical vapor deposition (CVD) is one of…
We develop an effective extended Hubbard model to describe the low-energy electronic properties of the twisted bilayer graphene. By using the Bloch states in the effective continuum model and with the aid of the maximally localized…
We build symmetry adapted maximally localized Wannier states, and construct the low energy tight binding model for the four narrow bands of the twisted bilayer graphene. We do so when the twist angle is commensurate, near the `magic' value,…
This review on graphene, a one atom thick, two-dimensional sheet of carbon atoms, starts with a general description of the graphene electronic structure as well as a basic experimental toolkit for identifying and handling this material.…
We investigate two-dimensional crystallization phenomena, i.e. minimality of a lattice's patch for interaction energies, with pair potentials of type $(x,y)\mapsto V(\|x-y\|)$ where $\|\cdot\|$ is an arbitrary norm on $\mathbb{R}^2$ and…
Temperature constraints are highly desirable in the experimental setup when seeking the synthesis of new carbon structures. Fluctuations of the Dirac field result in temperature-dependent corrections to the Helfrich-Canham formulation,…
Nitrogen, the most abundant element in Earth's atmosphere, exists as a diatomic gas under standard temperature and pressure. In the two-dimensional (2D) limit, atomically thin nitrogen, termed nitrogene, has been theoretically predicted to…
We perform unrestricted Hartree-Fock calculations on the 2D Hubbard model on a honeycomb and bilayer honeycomb lattice at both zero and finite temperatures. Finite size real space calculations are supplemented with RPA calculations in the…
Following the recent realization of an artificial version of Graphene in the electronic surface states of copper with judiciously placed carbon monoxide molecules inducing the honeycomb lattice symmetry (K. K. Gomes et al., Nature 483, 306…
The ground-state of two-dimensional (2D) systems of classical particles interacting pairwisely by the generalized Lennard-Jones potential is studied. Taking the surface area per particle $A$ as a free parameter and restricting oneself to…
Surface/edge energy is typically modeled as a continuous function of orientation, $\gamma({\bf n})$. We put forward a simple geometric argument that suggests this picture is inadequate for crystals with a non-Bravais lattice structure. In…
Using first-principles calculations, we show that the formation of carbohydrate directly from carbon and water is energetically favored when graphene membrane is subjected to aqueous environment with difference in chemical potential across…