Related papers: First-Principle Description of Correlation Effects…
Recently, many interesting features of the hydrodynamically coupled motions of the Brownian particles in a viscous fluid have been reported which are impossible for the uncoupled motions of the similar particles. However, it is expected…
Recently, Bafekry et al. [J. Appl. Phys. 130, 114301(2021)] reported their density functional theory (DFT) results on the structural, phonon dispersion, elastic constants and electronic properties of a BCN monolayer. The aforementioned…
Fabricating patterned nanostructures with matter waves can help to realise new nanophotonic devices. However, due to dispersion effects, designing patterns with nanoscale features is challenging. Here, we consider the propagation of a…
Bi2Se3 and Bi2Te3 are layered compounds of technological importance, being excellent thermoelectric materials as well as topological insulators. We report density functional theory calculations of the atomic, electronic and thermoelectric…
The paper studies the interaction of a longitudinal wave with transverse waves in general isotropic and unconstrained hyperelastic materials, including the possibility of dissipation. The dissipative term chosen is similar to the classical…
We study the 2D motion of colloidal dimers by single-particle tracking and compare the experimental observations obtained by bright-field microscopy to theoretical predictions for anisotropic diffusion. The comparison is based on the…
Another way to evaluate the spectral-correlation properties of thermal fields of solids is suggested. Such a method takes into account detailed structure of the interface transition layer separating one bulk region from those of the vacuum…
Hexagonal boron nitride is an indirect band gap material with a strong luminescence in the ultraviolet. This luminescence originates from bound excitons recombination assisted by different phonon modes. The coupling between excitons and…
The interlayer interaction in graphene/boron-nitride heterostructures is studied using density functional theory calculations with the correction for van der Waals interactions. It is shown that the use of the experimental interlayer…
Jets, jet-medium interaction and hydrodynamic evolution of fluctuations in initial parton density all lead to the final anisotropic dihadron azimuthal correlations in high-energy heavy-ion collisions. We remove the harmonic flow background…
In this work, we present an empirical force field for hexagonal boron nitride (hBN) monolayers, derived via a bottom-up strategy from first principles calculations. We aim to deliver a simple analytical force field for boron nitride which…
A theory of phonon-mediated superconductivity in strong-coupling amorphous materials is developed based on an effective description of structural disorder and its effect on the vibrational spectrum. The theory accounts for the…
It is widely recognized in particle technology that adhesive powders show a wide range of different bulk behavior due to the peculiarity of the particle interaction. We use Discrete Element simulations to investigate the effect of contact…
Using fundamental-measure density functional theory we investigate entropic wetting in an asymmetric binary mixture of hard spheres with positive non-additivity. We consider a general planar hard wall, where preferential adsorption is…
The elastic properties of paramagnetic cubic B1 (c-) Cr1-xAlxN ternary alloys are studied using stress-strain and energy-strain methods within the framework of Density Functional Theory (DFT). A strong compositional dependence of the…
For analyzing anisotropic low relative-velocity correlation-functions and the associated emission sources, we propose an expansion in terms of cartesian spherical harmonics. The expansion coefficients represent angular moments of the…
In this paper an asymptotic homogenization method for the analysis of composite materials with periodic microstructure in presence of thermodiffusion is described. Appropriate down-scaling relations correlating the microscopic fields to the…
Principles of design to create dynamically stable transition metal, lanthanide, and actinide based low-dimensional borides are presented. A charge transfer analysis of donor metal atoms to electron deficient honeycombed B lattices allows to…
In this work, we show in pedagogical detail that the most singular contributions to the slow part of the asymptotic density-density correlation function of Luttinger liquids with fermions interacting mutually with only short-range forward…
Time-dependent density functional theory (TDDFT) has been applied to the calculation of absorption spectra for two-dimensional atomic layer materials. We reveal that the character of the first bright exciton state of bi-layer hexagonal…