In this work calculation of energetics of transition metal surfaces is presented. The tight-binding model is employed in order to calculate the energetics. The tight-binding basis set is limited to d orbitals which are valid for elements at the end of transition metals series. In our analysis we concentrated on electronic effects at temperature T=0 K, this means that no entropic term will be pr...

We have investigated the local density of optical states (LDOS) in titania and silicon inverse opals – three-dimensional photonic crystals that have been realized experimentally. We used the H-field plane-wave expansion method to calculate the density of states and the projected local optical density of states, which are directly relevant for spontaneous emission dynamics and strong coupling. W...

The vortex state thermal and transport properties of the high T c copper oxides can be understood in a d-wave gap model and are dominated by the extended quasiparticle states that exist along the nodal directions in momentum space. The Doppler shift on these states due to the circulating supercurrents around the vortex core, introduces new van Hove ridges into the energy dependent local density...

We study the equilibrium states for an energy functional with a parametric force field on a region of a surface. Consideration of free equilibrium states is based on Lyusternik - Schnirelman's and Skrypnik's variational methods. Consideration of equilibrium states under a constraint of geometrical character is based on an analog of Skrypnik's method, described in [P. Vyridis, {it Bifurcation in...

We performed total energy calculations on strained tetragonal states of bulk fcc palladium by means of density functional theory using the local density approximation. Coherent epitaxial growth of thin films on cubic (001) substrates results in such strained structures due to heteroepitaxy with mismatch. We obtained what is called the epitaxial Bain path of palladium, a structural transition be...