Related papers: Electronic properties of linear carbon chains: res…
We calculate the electrical conductivity in the early universe at temperatures below as well as above the electroweak vacuum scale, $T_c\simeq 100$GeV. Debye and dynamical screening of electric and magnetic interactions leads to a finite…
We present the mathematical and numerical theory for evanescent waves in subwavelength band gap materials. We begin in the one-dimensional case, whereby fully explicit formulas for the complex band structure, in terms of the capacitance…
Chemical bondings of graphene oxides with oxygen concentration from 1\% to 50\% are investigated using first-principle calculations. Energy gaps are mainly determined by the competition of orbital hybridizations in C-C, O-O, and C-O bonds.…
Opening, in a controllable way, the energy gap in the electronic spectrum of graphene is necessary for many potential applications, including an efficient carbon-based transistor. We have shown that this can be achieved by chemical…
We investigate the systematics of the maximum Electron-decay energy E as a function of the mass number A along isotopic chains with a fixed proton number across Z<47. By making use of the available curated nuclear data, we find that, for…
Energies of graphene nanocones with 1 to 5 pentagonal disclinations are studied on an atomically detailed level. The numerical results are interpreted in terms of three different contributions to the cone energy: the core disclination…
In the present work, we show the importance of temperature dependent energy band gap, E$_{g}$(T), in understanding the high temperature thermoelectric (TE) properties of material by considering LaCoO$_{3}$ (LCO) and ZnV$_{2}$O$_{4}$ (ZVO)…
Carbyne, i.e. an infinitely long linear carbon chain (LCC), has been at the focus of a lot of research for quite a while, yet its optical, electronic, and vibrational properties have only recently started to become accessible experimentally…
The one-loop self-energy correction to the 1s electron g factor is evaluated to all orders in Z\alpha with an accuracy, which is essentially better than that of previous calculations of this correction. As a result, the uncertainty of the…
The long-range correlation energies and the off-diagonal interactions are studied and a general formula for correlation energy $E_c$ of the $\pi$ electron systems is given, which is beyond the nearest-neighbor electron-electron interactions…
We investigate the entanglement structure of a bipartite quantum system through the lens of quantum thermodynamics in the absence of conformal symmetry. Specifically, we consider the long-range Kitaev model, where the pairing interaction…
We present numerical and analytical results for the lifetime of emitters in close proximity to graphene sheets. Specifically, we analyze the contributions from different physical channels that participate in the decay processes. Our results…
We have used time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to the electrons per unit path length by an ion of kinetic energy…
The electrical conductivity has been calculated in the early universe at temperatures below as well as above the electroweak vacuum scale, $T_c\simeq 100$GeV. Debye and dynamical screening of electric and magnetic interactions leads to a…
We propose a nonequilibrium Green's function approach to calculate the ac conductance of various finite-length carbon nanotubes. The simulated ac conductance differs significantly from that of the infinite-length ones. At the low-frequency…
Channels of energy estimates control the energy of an initial data from that which it radiates outside a light cone. For the linearised energy critical wave equation they have been obtained in the radial case in odd dimensions, first in $3$…
By means of pseudopotential calculations based on density functional theory (DFT) we studied the effect of hydrogenation on electronic properties of armchair single-wall carbon nanotubes. The calculations demonstrate strong preference for…
The band gap energy as well as the possibility of cross luminescence processes in alkaline-earth dihalide crystals have been calculated using the ab initio Perturbed-Ion (PI) model. The gap is calculated in several ways: as a difference…
The effect of substitution atoms on the energy spectrum and the electrical conductivity of graphene was investigated in a Lifshitz one-electron tight-binding model. It is established that the ordering of impurity atoms results in a gap in…
We consider a wave equation with a time-dependent propagation speed, whose potential oscillations are controlled through bounds on its first and second derivatives and by limiting the integral of the difference with a fixed constant. We…