Grain boundaries in vortex matter

We explore the statistical properties of grain boundaries in the vortex polycrystalline phase of type-II superconductors. Treating grain boundaries as arrays of dislocations interacting through linear elasticity, we show that self-interaction of a deformed grain boundary is equivalent to a nonlocal long-range surface tension. This affects the pinning properties of grain boundaries, which are found to be less rough than isolated dislocations. The presence of grain boundaries has an important effect on the transport properties of type-II superconductors as we show by numerical simulations: our results indicate that the critical current is higher for a vortex polycrystal than for a regular vortex lattice. Finally, we discuss the possible role of grain boundaries in vortex lattice melting. Through a phenomenological theory we show that melting can be preceded by an intermediate polycrystalline phase.

Ionic-covalent transition in titanium oxides

The nature of the chemical bond in three titanium oxides of different crystal structure and different formal oxidation state has been studied by means of the ab initio cluster-model approach. The covalent and ionic contributions to the bond have been measured from different theoretical techniques. All the analysis is consistent with an increasing of covalence in the TiO, Ti2O3, and TiO2 series as expected from chemical intuition. Moreover, the use of the ab initio cluster-model approach combined with different theoretical techniques has permitted us to quantify the degree of ionic character, showing that while TiO can approximately be described as an ionic compound, TiO2 is better viewed as a rather covalent oxide.