Related papers: Atomistic Nature of Amorphous Graphite
We investigate the charge transport properties of planar amorphous graphene that is fully topologically disordered, in the form of sp2 three-fold coordinated networks consisting of hexagonal rings, but also including many pentagons and…
Topological quantum numbers are often used to characterise the topological order of phase having protected gapless edge modes when the system is kept in a space with the boundary. The famous examples in this category are the quantized…
We present electrical transport measurements in natural graphite and highly ordered pyrolytic graphite (HOPG), comparing macroscopic samples with exfoliated, nanofabricated specimens of nanometer thickness. The latter exhibit a very large…
Graphene oxide (GO) holds significant promise for electronic devices and nanocomposite materials. A number of models were proposed for GO structure, combining carboxyl, hydroxyl, carbonyl and epoxide groups at different locations. The…
An amorphous Se$_{0.80}$S$_{0.20}$ alloy produced by Mechanical Alloying was studied by Raman spectroscopy, x-ray diffraction, extended x-ray absorption fine structure (EXAFS) and optical absorption spectroscopy, and also through reverse…
A structural model of a one-component $\sigma$-phase crystal has been constructed by means of molecular dynamics simulation. The phonon dispersion curves and the vibrational density of states were computed for this model. The dependence of…
We show that harmonic vibrations in amorphous silicon can be decomposed to transverse and longitudinal components in all frequency range even in the absence of the well defined wave vector ${\bf q}$. For this purpose we define the…
The amorphous phases of antimony oxide at three different oxidation levels have been investigated by {\it ab initio} molecular-dynamics calculations using a simulated `melt-quench' approach. The atomic and electronic structure of the…
Amorphous solids are mechanically rigid while possessing a disordered structure similar to that of dense liquids. Recent research indicates that dynamical heterogeneity, spatio-temporal fluctuations in local dynamical behavior, might help…
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 present an analytic calculation of the conductivity of pure graphene as a function of frequency $\omega $, wave-vector $k$, and temperature for the range where the energies related to all these parameters are small in comparison with the…
Anharmonic decay rates are calculated for a realistic atomic model of amorphous silicon. The results show that the vibrational states decay on picosecond timescales and follow the two-mode density of states, similar to crystalline silicon,…
The electronic and optical properties of graphene monoxide, a new type of semiconductor materials, are first theoretically studied based on density functional theory. Electronic calculations show that the band gap is 0.952 eV which indicate…
The electron-transport properties of adatom-graphene system are investigated for different (random, correlated, and ordered) spatial configurations of adatoms over different types of high symmetry sites with various adsorption heights. K…
By using molecular dynamics simulation, formation mechanisms of amorphous carbon in particular sp${}^3$ rich structure was researched. The problem that reactive empirical bond order potential cannot represent amorphous carbon properly was…
The topological properties of materials are, until now, associated with the features of their crystalline structure, although translational symmetry is not an explicit requirement of the topological phases. Recent studies of hopping models…
Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an ordered way and was synthesized recently (Science 360…
The edges of graphene and graphene like systems can host localized states with evanescent wave function with properties radically different from those of the Dirac electrons in bulk. This happens in a variety of situations, that are…
We theoretically investigate ultrafast and nonlinear optical properties of graphite thin films based on first-principles time-dependent density functional theory. We first calculate electron dynamics in a unit cell of graphite under a…
Thermal atomic vibrations in amorphous solids can be distinguished by whether they propagate as elastic waves or do not propagate due to lack of atomic periodicity. In a-Si, prior works concluded that non-propagating waves are the dominant…