Related papers: A stacking-fault based microscopic model for plate…
The structure of amorphous silicon is widely thought of as a fourfold-connected random network, and yet it is defective atoms, with fewer or more than four bonds, that make it particularly interesting. Despite many attempts to explain such…
Electron irradiation and annealing treatments are a method of colour centre/defect creation in diamond. The depth profile of defects created by low energy 200 keV electrons in single crystal high purity (type II) electronic grade diamond…
A phase-field model for dealing with dynamic instabilities in membranes is presented. We use it to study curvature-driven pearling instability in vesicles induced by the anchorage of amphiphilic polymers on the membrane. Within this model,…
We study the non-equilibrium dynamics of two dimensional planar ion Coulomb crystals undergoing a structural buckling transition to a three plane configuration, driven by a reduction of the transverse confining frequency. This phase…
The $S=1/2$ distorted diamond spin chain with the anisotropic ferromagnetic interaction is investigated using the numerical diagonalization and the level spectroscopy analysis. It is known that the system exhibits a plateau of the…
Tight-binding molecular dynamics simulations shed light into the fracture mechanisms and the ideal strength of tetrahedral amorphous carbon and of nanocomposite carbon containing diamond crystallites, two of the hardest materials. It is…
Crystal defects crucially influence the properties of crystalline materials and have been extensively studied. Even for the simplest type of defect - the point defect - however, basic properties such as their diffusive behavior, and their…
Atomistic origin of stacking faults in non-close packed systems is a fundamentally distinct mechanism from the well-known close packed structures with ABC stacking, and represents an uncharted territory in material research. According to…
Highly periodic structures are often said to convey the beauty of nature. However, most material properties are strongly influenced by the defects they contain. On the mesoscopic scale, molecular self-assembly exemplifies this interplay;…
We study the vibrational spectra of one-dimensional statically compressed granular crystals (arrays of elastic particles in contact) containing defects. We focus on the prototypical settings of one or two spherical defects (particles of…
The issue of the buckling mechanism in droplets stabilized by solid particles (armored droplets) is tackled at a mesoscopic level using dissipative particle dynamics simulations. We consider spherical water droplet in a decane solvent…
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…
Point defects in semiconductors are becoming central to quantum technologies. They can be used as spin qubits interfacing with photons, which are fundamental for building quantum networks. Currently, the most prominent quantum defect in…
Using molecular dynamics simulation, we investigate the dynamics of stacking faults in fcc crystals in uniaxial stretching in a Lennard-Jones binary mixture composed of 4096 particles in three dimensions. We visualize stacking faults using…
We theoretically show how two impurity defects in a crystalline structure can be entangled through coupling with the crystal. We demonstrate this with a harmonic chain of trapped ions in which two ions of a different species are embedded.…
In this work a periodic crystal with point defects is described in the framework of linear response theory for broken symmetry states using correlation functions and Zwanzig-Mori equations. The main results are microscopic expressions for…
Polycrystalline boron-doped diamond (BDD) is widely used as a working electrode material in electrochemistry, and its properties, such as its stability, make it an appealing support material for nanostructures for electrocatalytic…
A 4-period diamond undulator with a thickness of 20 $\mu$m was produced with the method of Chemical Vapour Deposition (CVD), applying boron doping, on a straight diamond crystal with an effective thickness of 165.5 $\mu$m. A planar (110)…
Diamond materials are central to an increasing range of advanced technological demonstrations, from high power electronics, to nano-scale quantum bio-imaging with unprecedented sensitivity. However, the full exploitation of diamond for…
We have performed density functional theory (DFT) calculations to characterize the energetics, and the atomic and electronic structure, of stacking faults in GaN, both in the stable hexagonal wurtzite (wz) phase and in the metastable cubic…