Related papers: Development of an interatomic potential for phosph…
We investigate the effect of impurities in multiferroic materials using an equation of motion approach for the spin dynamics of the host multiferroic compound. We model the impurities as a two-level system and focus on the regime where the…
Black phosphorus (BP) is a two-dimensional layered material composed of phosphorus atoms. Recently, it was demonstrated that external perturbations such as an electric field close the band gap in few-layer BP, and can even induce a band…
Significant progress has been made for assessing the influence of porosity on the performance metrics for cast components through various modeling techniques. However, a computationally efficient framework to account for porosity with…
The model of homogeneous semicoherent interphase boundary describes the processes of absorption and thermoactivated migration of irradiation-produced inequilibrium point defects at a semicoherent boundary between a heterophase precipitate…
The electric conductance of a strip of undoped graphene increases in the presence of a disorder potential, which is smooth on atomic scales. The phenomenon is attributed to impurity-assisted resonant tunneling of massless Dirac fermions.…
Recent advances in many-body physics have made it possible to study correlated electron systems at the two-particle level. In Dynamical Mean-Field theory, it has been shown that the metal-insulator phase diagram is closely related to the…
A robust variational approach is used to investigate the sensitivity of the rotation-vibration spectrum of phosphine (PH$_3$) to a possible cosmological variation of the proton-to-electron mass ratio, $\mu$. Whilst the majority of computed…
Two-dimensional materials with strong bandstructure anisotropy such as black phosphorus BP have been identified as attractive candidates for logic application due to their potential high carrier velocity and large density-of-states.…
To simulate the transient enhanced diffusion near the surface or interface, a set of equations describing the impurity diffusion and quasichemical reactions of dopant atoms and point defects in ion-implanted layers is proposed and analyzed.…
The effect of an oscillating electric field normal to a metallic surface may be described by an effective potential. This induced potential is calculated using semiclassical variants of the random phase approximation (RPA). Results are…
We use \textit{ab initio} calculations to estimate formation energies of cation (transition metal) antisite defects at oxide interfaces and to understand the basic physical effects that drive or suppress the formation of these defects.…
In the ion acceleration by radiation pressure a transverse inhomogeneity of the electromagnetic pulse results in the displacement of the irradiated target in the off-axis direction limiting achievable ion energy. This effect is described…
We study the localization properties of a test dipole feeling the disordered potential induced by dipolar impurities trapped at random positions in an optical lattice. This random potential is marked by correlations which are a convolution…
The field of plasmonics is capable of enabling interesting applications in the different wavelength ranges, spanning from the ultraviolet up to the infrared. The choice of plasmonic material and how the material is nanostructured have…
The microstructure of the Ti-Al binary system is an area of great interest as it affects material properties and plasticity. Phase transformations induce microstructural changes; therefore, accurately modeling the phase transformations of…
Target ionization processes of alkali atoms by Positronium impact are investigated. Calculations are performed in the frame work of model potential formalism using the Coulomb distorted eikonal approximation. Interesting qualitative…
We show that the energy gap induced by ferromagnetically aligned magnetic impurities on the surface of a topological insulator can be filled, due to scattering off the non-magnetic potential of the impurities. In both a continuum surface…
We study the influence of disorder and randomly distributed impurities on the properties of correlated antiferromagnets. To this end the Hubbard model with (i) random potentials, (ii) random hopping elements, and (iii) randomly distributed…
We propose an interferometric setup that permits to tune the quantity of radiation absorbed by an object illuminated by a fixed light source. The method can be used to selectively irradiate portions of an object based on their…
We develop an empirical potential for silicon which represents a considerable improvement over existing models in describing local bonding for bulk defects and disordered phases. The model consists of two- and three-body interactions with…