Related papers: Strength-dependent Transition of Graphite Under Sh…
In the present paper, we investigate the structural, thermodynamic, dynamic, elastic, and electronic properties of doped 2D diamond C$_4$X$_2$ (X = B or N) nanosheets in both AA$'$A$''$ and ABC stacking configurations, by first-principles…
We study static distributions of ferrofluid submitted to non-uniform magnetic fields. We show how the normal-field instability is modified in the presence of a weak magnetic field gradient. Then we consider a ferrofluid droplet and show how…
Compressed hydrogen passes through a series of layered structures in which the layers can be viewed as distorted graphene sheets. The electronic structures of these layered structures can be understood by studying simple model systems- an…
Hybrid quantum systems, which combine quantum-mechanical systems with macroscopic mechanical oscillators, have attracted increasing interest as they are well suited as high-performance sensors or transducers in quantum computers. A…
New carbon forms exhibiting extraordinary physico-chemical properties can be generated from nanostructured precursors under extreme pressure. Nevertheless, synthesis of such fascinating materials is often not well understood that results,…
The evolution of the diamond (111) surface as it undergoes reconstruction and subsequent graphene formation is investigated with angle-resolved photoemission spectroscopy, low energy electron diffraction, and complementary density…
The effect of strain in graphene is usually modeled by a pseudo-magnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance,…
Graphene nanoribbons (GNRs) physisorbed on a Au(111) surface can be picked up, lifted at one end, and made slide by means of the tip of an atomic-force microscope. The dynamical transition from smooth sliding to multiple stick-slip regimes,…
When a crystal is subjected to a periodic potential, under certain circumstances (such as when the period of the potential is close to the crystal periodicity; the potential is strong enough, etc.) it might adjust itself to follow the…
Off-lattice Grand Canonical Monte Carlo simulations of the clean diamond (111) surface, based on the effective many-body Brenner potential, yield the $(2\times1)$ Pandey reconstruction in agreement with \emph{ab-initio} calculations and…
We consider superconducting properties of a two-dimensional Dirac material such as graphene under strain that produces a flat band spectrum in the normal state. We show that in the superconducting state, such a model results in a highly…
Measuring the transport of electrons through a graphene sheet necessarily involves contacting it with metal electrodes. We study the adsorption of graphene on metal substrates using first-principles calculations at the level of density…
Optical measurements under externally applied stresses allow us to study the materials' electronic structure by comparing the pressure evolution of optical peaks obtained from experiments and theoretical calculations. We examine the…
The emission intensity of diamond samples containing nitrogen-vacancy centres are measured as a function of magnetic field along a <111> direction for various temperatures. At low temperatures the responses are sample and stress dependent…
Atomistic simulations are powerful tools for investigating tribological phenomena at a fundamental level; however, simulating a tribological system remains challenging due to the multiscale nature of frictional processes. Recently, we…
We report a systematic investigation on the spectral splitting of negatively charged, nitrogen-vacancy (NV-) photo-luminescent emission in single crystal diamond induced by strain engineering. The stress fields arise from MeV ion-induced…
The stability of graphene multivacancy systems is studied using Density Functional Theory (DFT) calculations. This work describes the evolution of the energy of formation per carbon atom for zigzag and armchair complementary figures -i.e.…
We report density-functional based molecular dynamics simulations, that show that, with increasing pressure, liquid carbon undergoes a gradual transformation from a liquid with local three-fold coordination to a 'diamond-like' liquid. We…
We investigate gated multilayer graphene with stacking order change along the armchair direction. We consider some layers cracked to release shear strain at the stacking domain wall. The energy cones of graphene overlap along the…
The energy dependence of the concentration of primary displacements induced by protons and pions in diamond has been calculated in the energy range 50 MeV - 50 GeV, in the frame of the Lindhard theory. The concentrations of primary…