Related papers: Significantly Enhanced Vacancy Diffusion in Mn-con…
Diffusion of native defects such as vacancies and their interactions with impurities are fundamental in semiconductor crystal growth, device processing, and long-term aging of equilibration and transient diffusion of vacancies are rarely…
We present a first-principles methodology, within the context of linear-response theory, that greatly facilitates the perturbative study of physical properties of metallic crystals. Our approach builds on ensemble density-functional theory…
We examine the effects of electromagnetic field non-linearities in $3$ space-time dimensions. We focus on how these non-linearities influence permittivity and susceptibility. This, in turn, leads to changes in the refractive index through…
The volcanism plays an important part in mass exchange circle to bring matter from core of planet to atmosphere. Thus, it is a possible method to research the change of elements abundance in atmosphere by modeling the process of volatiles…
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturbing fields (electric, magnetic). Like for density functional…
In the charged pion decay, a neutrino is produced in pair with a charged lepton and they have the same production rate. In this paper we show that neutrinos have their own space-time correlations in a wide area and are detected in a…
Currently explored rechargeable aqueous zinc-ion battery (RAZIB) cathode materials, such as $\alpha$-MnO$_{2}$, suffer from severe capacity fade when cycling at rates appropriate for grid-scale operation. Mn dissolution has been previously…
We have carried out ab initio electronic structure calculations on graphane (hydrogenated graphene) with single and double vacancy defects. Our analysis of the density of states reveal that such vacancies induce the mid gap states and…
We report a strikingly new physical phenomenon that mirror symmetry breaking in undulated two-dimensional (2D) materials induces a colossal Stark shift in defect emissions, occurring without external electric field F, termed anomalous Stark…
Layered transition metal dichalcogenides (TMDs) offer many attractive features for next-generation low-dimensional device geometries. Due to the practical and fabrication challenges related to in situ methods, the atomistic dynamics that…
In two-dimensions (2D), the Mermin-Wagner-Hohenberg (MWH) fluctuation plays a significant role, giving rise to striking dimensionality effects marked by long-range density fluctuations leading to the singularities of various dynamical…
Dry solid friction is often accompanied by force modulations originating from stick-slip instabilities. Here a distinct, quasi-static mechanism is evidenced leading to quasi-periodic force oscillations during sliding contact between an…
Anomalous diffusion or, more generally, anomalous transport, with nonlinear dependence of the mean-squared displacement on the measurement time, is ubiquitous in nature. It has been observed in processes ranging from microscopic movement of…
Nanoscale machines are strongly influenced by thermal fluctuations, contrary to their macroscopic counterparts. As a consequence, even the efficiency of such microscopic machines becomes a fluctuating random variable. Using geometric…
First-principle calculations were employed to analyze the effects induced by vacancies of molybdenum (Mo) and sulfur (S) on the dielectric properties of few-layered MoS2. We explored the combined effects of vacancies and dipole interactions…
We report anomalous quantum transport features in bilayer graphene in presence of a random distribution of structural vacancies. By using an efficient real-space Kubo-Greenwood transport methodology, the impact of a varying density of dimer…
When the vacuum state of a scalar or electromagnetic field is modified by the presence of a reflecting boundary, an interacting test particle undergoes velocity fluctuations. Such effect is regarded as a sort of quantum analog of the…
We report scanning tunneling microscopy observations, which imply that all atoms in a close-packed copper surface move frequently, even at room temperature. Using a low density of embedded indium `tracer' atoms, we visualize the diffusive…
Using first-principles calculations, in conjunction with Ising magnetism, we undertake a theoretical study to elucidate the origin of the experimentally observed Invar effects in disordered fcc iron-based ferromagnets. First, we show that…
Point defects play a crucial role in crystalline materials as they do not only impact the thermodynamic properties but are also central to kinetic processes. While they are necessary in thermodynamic equilibrium spontaneous defect formation…