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Perovskite structure materials based on the Ba1-xGdxTiO3 system, where x = 0.001, 0.002, 0.003, 0.004 and 0.005, were prepared via the Pechini chemical synthesis route. The dielectric properties have been analyzed over a wide temperature…

Ferroelectric interfaces are unique model objects for fundamental studies of polar surface properties such as versatile screening mechanisms of spontaneous polarization by free carriers and possible ion exchange with ambient media. The…

We present time-resolved photometry and spectroscopy of the recently classified polar MASTER OT J132104.04+560957.8. The spectrum shows a smooth, non-thermal continuum at the time of maximum light, without any individually discernible…

Counterion distribution around an isolated flexible polyelectrolyte in the presence of a divalent salt is evaluated using the adsorption model [M. Muthukumar, J. Chem. Phys. {\bf 120}, 9343 (2004)] that considers Bjerrum length, salt…

The luminescence of fifteen representative Eu$^{2+}$-doped phosphors used for white-LED and scintillation applications is studied through a Constrained Density Functional Theory. Transition energies and Stokes shift are deduced from…

In this paper, we introduce a novel, adapted approach for computing gas adsorption properties in porous materials. We analyze the Dubinin-Polanyi's adsorption model and investigate various frameworks to estimate its required essential…

Monte Carlo (MC) simulations have been carried out to study the adsorption on square and triangular lattices of particles with two bonding sites that, by decreasing temperature or increasing density, polymerize reversibly into chains with a…

Superconductivity in the new polymerized C60 fullerite clathrate doped with simple metals was investigated through density functional theory methods. The phonon dispersion curves were systematically computed for the clathrate structures…

We consider charge transport in nanopores where the dielectric constant inside the nanopore is much greater than in the surrounding material, so that the flux of the electric fields due to the charges is almost entirely confined to the…

Thermal scaling and relaxation of the interface width in an electrophoretic deposition of polymer chains is examined by a three-dimensional Monte Carlo simulation on a discrete lattice. Variation of the equilibrium interface width $W_r$…

Topological insulators have surface states with a remarkable helical spin structure, with promising prospects for applications in spintronics. Strategies for generating spin polarized currents, such as the use of magnetic contacts and…

We present results of a Monte Carlo study of temperature-programmed desorption in a model system with attractive lateral interactions. It is shown that even for weak interactions there are large shifts of the peak maximum temperatures with…

We calculate the ultrasonic absorption and the thermal conductivity in the superconducting state of UPt$_{3}$ as functions of temperature and direction of propagation and polarization. Two leading candidates for the superconducting order…

The evolution of the density of states (DOS) and conductivity as function of well controlled doping levels in OC_1C_10-poly(p-phenylene vinylene) [OC_1C_10-PPV] doped by FeCl_3 and PF_6, and PF_6 doped polypyrrole (PPy-PF_6 have been…

The recent demonstration of resonant tunneling transport in nitride semiconductors has led to an invigorated effort to harness this quantum transport regime for practical applications. In polar semiconductors, however, the interplay between…

Inelastic electron scattering by the adsorbate covered Pt(100) single crystal surface is studied by Disappearance Potential Spectroscopy and density of states (DOS) calculations. Two peculiar channels of elastic electron consumption are…

We propose a detailed description of the structure of the layer formed by polyelectrolyte chains adsorbed onto an oppositely charged surface in the semi-dilute regime. We combine the mean-field Poisson-Boltzmann-Edwards theory and the…

Doped one-dimensional (1D) conjugated polymers, such as polyacetylene, have a conductivity of some metals, like copper. We show that when this polymer is asymmetrically doped, unexpected properties are revealed, when compared to the…

A recent theory suggests that the evaporation kinetics of macromolecular solutions is insensitive to the ambient relative humidity (RH) due to the formation of a `polarisation layer' of solutes at the air-solution interface. We confirm this…

Semi-crystalline polymers have been shown to have greatly increased thermal conductivity compared to amorphous bulk polymers due to effective heat conduction along the covalent bonds of the backbone. However, the mechanisms governing the…