Related papers: Temperature dependence of (111) and (110) ceria su…
The temperature dependent surface relaxation of Ag(111) is calculated by density-functional theory. At a given temperature, the equilibrium geometry is determined by minimizing the Helmholtz free energy within the quasiharmonic…
The thermal evolution of the energies and free energies of a set of spherical and near-spherical nuclei spanning the whole periodic table are calculated in the subtracted finite-temperature Thomas- Fermi framework with the zero-range…
Surface reconstructions of Au film on Pd(110) substrate are studied using a local Einstein approximation to quasiharmonic theory with the Sutton-Chen interatomic potential. Temperature dependent surface free energies for different coverages…
The dissipation of energy in dynamic force microscopy is usually described in terms of an adhesion hysteresis mechanism. This mechanism should become less efficient with increasing temperature. To verify this prediction we have measured…
A theory for the thermodynamic properties of steps on faceted crystalline surfaces is presented. The formalism leads to the definition of step excess quantities, including an excess step stress that is the step analogy of surface stress.…
The thermal evolution of a few thermodynamic properties of the nuclear surface like its thermodynamic potential energy, entropy and the symmetry free energy are examined for both semi-infinite nuclear matter and finite nuclei. The…
The temperature dependence of the thermoelectric power, S(T), and the electrical resistivity of the magnetically ordered CeRu_2Ge_2 (T_N=8.55 K and T_C=7.40 K) were measured for pressures p < 16 GPa in the temperature range 1.2 K < T < 300…
Point defects dictate the properties of many functional materials. The standard approach to modelling the thermodynamics of defects relies on a static description, where the change in Gibbs free energy is approximated by the internal…
Normally, understanding the temperature dependent transport properties of strongly correlated electron systems remains challenging task due to complex electronic structure and its variations (around E$_{F}$) with temperature. Here, we…
Within a self-consistent thermal model using an isospin and momentum dependent interaction (MDI) constrained by the isospin diffusion data in heavy-ion collisions, we investigate the temperature dependence of the symmetry energy…
We present a thermodynamical investigation of the alpha-gamma transition of Ce using first principles calculation based on the combination of Density Functional Theory with Dynamical Mean Field Theory. First, the scheme allows for an…
Nonstoichiometric ceria(CeO$_{2-\delta}$) is a candidate reaction medium to facilitate two step water splitting cycles and generate hydrogen. Improving upon its thermodynamic suitability through doping requires an understanding of its…
Two-pulse correlation experiments performed using pulses of different intensities on Pd(111) with different CO coverages showed that the CO photodesorption probability depends on whether the strong or the weak pulse arrives first to the…
We propose a method, Temperature Integration, which allows an efficient calculation of free energy differences between two systems of interest, with the same degrees of freedom, which may have rough energy landscapes. The method is based on…
Temperature dependence S(T) of the thermoelectric power of metallic systems with cerium and ytterbium ions exhibits some characteristic features, which can be used to classify these systems into distinct categories. The experimental data…
Point defects introduce localized electronic states that critically affect carrier trapping, recombination, and transport in functional materials. The associated charge transition levels (CTLs) can depend on temperature, requiring accurate…
We perform a systematic study of the modifications to the QCD vacuum energy density $\epsilon_{vac}$ in the zero-temperature case ($T=0$) caused by a small, but non-zero, value of the parameter $\theta$, using different effective Lagrangian…
The microwave, near-millimetre and infrared (IR) dielectric response of Srn+1TinO3n+1 (n=1-4) Ruddlesden-Popper homologous series was studied in the temperature range 10 to 300 K. Remarkable softening of the polar optical mode was observed…
The properties of the QCD axion are strictly related to the dependence of strong interactions on the topological parameter theta. We present a determination of the topological properties of QCD for temperatures up to around 600 MeV,…
The temperature behaviour of the anchoring energy of nematic liquid crystal MBBA at the substrates with oblique SiO evaporation and director orientation at the interface have been studied by means of magnetic Freedericksz transition…