The crystal field splitting and d bandwidth of the 3d transition metal monoxides MnO, FeO, CoO and NiO are analyzed as a function of pressure within density functional theory. In all four cases the 3d bandwidth is significantly larger than the crystal field splitting over a wide range of compressions. The bandwidth actually increases more as pressure is increased than the crystal field splittin...

Energy levels of pentacoordinate d5 to d9 complexes were evaluated according the generalized crystal field theory at three sophistication for two limiting cases pentacoordination: trigonal bipyramid and tetragonal pyramid. The electronic terms involve interelectron repulsion potential; multiplets account spin–orbit interaction; magnetic energy orbital– spin–Zeeman interactions with field. are l...

Sub-micrometer-sized CdS spheres were synthesized by hydrothermal and solvothermal reactions using Cd(NO3)2.4H2O and CH4N2S raw materials at a constant stoichiometric 1 : 2, Cd : S molar ratio. Various conditions such as solvent type (water and/or ethanol), reaction time and temperature were examined for the synthesis of the targets. The sy...

The Dzyaloshinskii-Moriya (DM) interaction that originates from relativistic spin-orbit coupling in noncentrosymmetric magnets is a source of topological spin textures. We theoretically investigate the possibility skyrmion crystal (SkX) by focusing on role out-of-plane DM different polar- and chiral-type interaction. By performing simulated annealing for model triangular lattice belonging to ${...

The effects associated with interatomic hoppings of excitons and the excitonic Bose condensate formation in strongly correlated spin crossover systems are considered framework effective Hamiltonian for two-band Kanamori model. appearance antiferromagnetic ordering due to exciton order is found even absence exchange interaction. spectrum excitations calculated at various points "temperature vs. ...

In the present paper, resonant frequencies and modes of a three-atom photonic molecule and a photonic crystal placed within a cavity are numerically calculated. First, governing formulation in transverse electric field mode (TE) is obtained using Maxwell equations. Then, an algorithm based on a finite difference scheme and matrix algebra is presented. The algorithm is then implemented in a comp...

The article discusses the mathematical modeling for evolution of stress-strain state and fields defects in crystals during their contact interaction with a system rigid punches. From macroscopic point view, redistribution is characterized by inelastic (viscoplastic) deformation, therefore processes under study can be classified as elastic-viscoplastic. Elastic deformations are assumed to finite...