Related papers: Significantly Enhanced Vacancy Diffusion in Mn-con…
We investigate the magnetic properties of photons propagating through Dirac materials in a magnetic field, considering both vacuum and medium contributions. Photon propagation properties are obtained through a second-order expansion of…
We discuss hydrogen diffusion and solubility in aluminum alloyed Fe-Mn alloys. The systems of interest are subjected to tetragonal and isotropic deformations. Based on ab initio modelling, we calculate solution energies, then employ…
Density functional theory (DFT) and DFT corrected for on-site Coulomb interactions (DFT+U) calculations are presented on Aluminium doping in bulk TiO$_2$ and the anatase (101) surface. Particular attention is paid to the mobility of oxygen…
Dislocations are one-dimensional (1D) topological line defects where the lattice deviates from the perfect crystal structure. The presence of dislocations transcends condensed matter research and gives rise to a diverse range of emergent…
The electronic structure and half-metallic gap of Co$_{2}$MnSi in the presence of crystallographic defects, partial Fe substitution for Mn, and thermal spin fluctuations are studied using the coherent potential approximation and the…
This work investigates the angular momentum of the electromagnetic quantum vacuum residing in a dielectric Mie sphere subject to the Faraday effect. Longitudinal electric modes are excited on its surface and are also created inside the…
Large scale magnetic field threading an accretion disk is a key ingredient in the jet formation model. The most attractive scenario for the origin of such a large scale field is the advection of the field by the gas in the accretion disk…
This work is devoted to establishing the mechanisms of elastic oscillation influence on nucleation processes in metal melts. The method of physical modeling with low-temperature metallic alloys (Wood and Rose) and transparent organic media…
We present a general method to identify topological materials by studying the local electronic density $\delta \rho \left(\boldsymbol{r}\right)$. More specifically, certain types of defects or spatial textures such as vacancies, turn…
Ordered mesoscale structures in 2D materials induced by small misorientations have opened pathways for a wide variety of novel electronic, ferroelectric, and quantum phenomena. Until now, the only mechanism to induce this periodic ordering…
Determining the types and concentrations of vacancies present in intentionally doped GaN is a notoriously difficult and long-debated problem. Here we use an unconventional approach, based on thermal transport modeling, to determine the…
Lorentz invariance is a well known fundamental concept of special relativity but its violation is predicted by some variations of quantum gravity, string theory, and some alternatives to general relativity. We study neutrino oscillation at…
It is well known that a fundamental theorem of Quantum Field Theory (QFT) set in at spacetime ensures the CPT invariance of the theory. This symmetry is strictly connected to the Lorentz covariance, and consequently to the fundamental…
The exploration of two-dimensional (2D) antiferromagnetic (AFM) materials has shown great promise and interest in tuning the magnetic and electronic properties as well as studying magneto-optical effects. The current work investigates the…
We study the effect of the off-diagonal elements of the Wannier Hamiltonian on the electronic structure of low-symmetry material Li$_2$MnO$_3$ ($C2/m$), using dynamical mean field theory calculations with continuous-time Quantum Monte Carlo…
We report pronounced modifications of electronic and vibrational properties induced in FeO by cation vacancies, obtained within density functional theory incorporating strong local Coulomb interactions at Fe atoms. The insulating gap of FeO…
Optical nonlinearity depends on symmetry and symmetries vanish in the presence of defects. Vaccancy defects in centrosymmetric crystals and thin films are a well-known source of even-order optical nonlinearity, e.g. causing second harmonic…
Defect engineering offers an important route to property tuning of nanostructured coatings for advanced applications. Transition metal nitrides, such as CrN, are widely used for their mechanical resilience, but their nitrogen-rich analogue…
We present ab initio calculations for single-atom vacancies in graphene. In agreement with earlier work, we find that vacancies are responsible for the magnetism recently observed experimentally, creating a center with net spin. For small…
Pitting corrosion is a much-studied and technologically relevant subject. However, the fundamental mechanisms responsible for the breakdown of the passivating oxide layer are still subjects of debate. Chloride anions are known to accelerate…