Related papers: Phase separation and surface segregation in ceria-…
A uniform distribution of La and Sr in lanthanum-strontium manganites would lead to charged crystal planes, a charged surface, and arbitrarily large surface energy for a bulk crystal. This divergent energy can be eliminated by depleting the…
Metastable LiMeO2-ZnO (Me = Fe3+, Ti3+) solid solutions with rock salt crystal structure have been synthesized by solid state reaction of ZnO with LiMeO2 complex oxides at 7.7 GPa and 1350-1450 K. Structure, phase composition, thermal…
SrTiO$_{3}$ undergoes a cubic-to-tetragonal phase transition at 105K. This antiferrodistortive transition is believed to be in competition with incipient ferroelectricity. Substituting strontium by isovalent calcium induces a ferroelectric…
We explore the phase diagram of strongly interacting matter as a function of temperature and baryon number density, using a class of models for two-flavor QCD in which the interaction between quarks is modelled by that induced by…
Thin films of cerium dioxide (CeO2) were deposited by atomic layer deposition (ALD) at 250 {\deg}C on both Si and TiN substrates. The ALD growth produces CeO2 films with polycrystalline cubic phase on both substrates. However, the films…
We calculate the ion and composition distributions around colloid particles in an aqueous mixture, accounting for preferential adsorption, electrostatic interaction, selective solvation among ions and polar molecules, and…
First-principles calculation and anharmonic dynamical theory were used in sequence to explain a large excess heat capacity observed in yttria-stabilized zirconia in comparison with the additive rule value. It is found that the excessive…
A thermodynamically self-consistent Ornstein-Zernike approximation (SCOZA) is applied to a fluid of spherical particles with a pair potential given by a hard-core repulsion and a Yukawa attractive tail $w(r)=-\exp [-z(r-1)]/r$. This…
We explore the effects of counterion condensation on fluid-fluid phase separation in charged colloidal suspensions. It is found that formation of double layers around the colloidal particles stabilizes suspensions against phase separation.…
Zirconium nitride (ZrN) is a refractory material with good mechanical and thermal properties. It is therefore a good candidate for hard surface treatment at high temperature. In this work, we report the growth and characterization of ZrN by…
The theory of first order density-driven phase transitions with frustration due to the long range Coulomb (LRC) interaction develop on paper I of this series is applied to the following physical systems: i) the low density electron gas ii)…
Zirconia is well-known for plenty of important morphologys with Zr coordination varying from sixfold in the octagonal phase to eightfold in the cubic or tetragonal phase. The development of empirical potentials to describe these zirconia…
Preparation of solid solutions represents an effective means to improve the photocatalytic properties of semiconductor-based materials. Nevertheless, the effects of site-occupancy disorder on the mixing stability and electronic properties…
Structural phase transitions often couple to magnetic and electronic degrees of freedom, enabling emergent phenomena in solids. In high-entropy oxides (HEOs), which typically stabilize in highly symmetric cubic phases, such transitions are…
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…
It is widely believed that chiral symmetry is restored not only at high temperatures, but also at high nuclear densities. The drop of the order parameter of the chiral phase transition, the chiral condensate, with density has indeed been…
Phase separation is a fairly common physical phenomenon with examples including the formation of water droplets from humid air (fog, rain), the separation of a crystalline structure from an isotropic material such as a liquid or even the…
Percolation in systems made up of randomly placed impermeable grains is often examined in the context of system spanning clusters of connected solids forming above a relatively low critical grain density $\rho_{c1}$ or networks of…
We study the phase behavior of hard spheres confined between two parallel hard plates using extensive computer simulations. We determine the full equilibrium phase diagram for arbitrary densities and plate separations from one to five…
Layered, hexagonal crystal structures, like zeta and eta phases, play an important role in ultra-high temperature ceramics, often significantly increasing toughness of carbide composites. Despite their importance open questions remain about…