On the basis of the two-site polaron problem, which we solve by exact diagonalization, we analyze the spectral properties of polaronic systems in view of discerning localized from itinerant polarons and bound polaron pairs from an ensemble of single polarons. The corresponding experimental techniques for that concern photoemission and inverse photoemission spectroscopy. The evolution of the density of states as a function of concentration of charge carriers and strength of the electron-phonon interaction clearly shows the opening up of a gap between single-polaronic and bipolaronic states, in analogy to the Hubbard problem for strongly correlated electron systems. In studying the details of the intricately linked dynamics of the charge carriers and of the molecular deformations which surround them, we find that in general the dynamical delocalization of the charge carriers helps to strengthen the phase coherence for itinerant polaronic states, except for the crossover regime between adiabatic and antiadiabatic small polarons. The crossover between these two regimes is triggered by two characteristic time scales: the renormalized electron hopping rate and the renormalized vibrational frequency becoming equal. This crossover regime is then characterized by temporarily alternating self-localization and delocalization of the charge carriers which is accompanied by phase slips in the charge and molecular deformation oscillations and ultimately leads to a dephasing between these two dynamical components of the polaron problem. We visualize these features by a study of the temporal evolution of the charge redistribution and the change in molecular deformations. The spectral and dynamical properties of polarons discussed here are beyond the applicability of the standard Lang-Firsov approach to the polaron problem.

The Cahn-Hilliard equation is related with a number of interesting physical phenomena like the spinodal decomposition, phase separation and phase ordering dynamics. On the other hand this equation is very stiff an the difficulty to solve it numerically increases with the dimensionality and therefore, there are several published numerical studies in one dimension (1D), dealing with different approaches, and much fewer in two dimensions (2D). In three dimensions (3D) there are very few publications, usually concentrate in some specific result without the details of the used numerical scheme. We present here a stable and fast conservative finite difference scheme to solve the Cahn-Hilliard with two improvements: a splitting potential into a implicit and explicit in time part and a the use of free boundary conditions. We show that gradient stability is achieved in one, two and three dimensions with large time marching steps than normal methods.

We propose a general theory for the critical and pseudogap temperatures Tc and T * dependence on the doping concentration for high-Tc oxides, taking into account the charge inhomogeneities in the CuO2 planes. Several recent experiments have revealed that the charge density ρ in a given compound (mostly underdoped) is intrinsic inhomogeneous with large spatial variations which leads to a local charge density ρ(r). These differences in the local charge concentration yield insulator and metallic regions, either in an intrinsic granular or in a stripe morphology. In the metallic region, the inhomogeneous charge density produces also spatial or local distributions which form Cooper pairs at a local superconducting critical temperatures Tc(r) and zero temperature gap ∆0(r). For a given compound, the measured onset of vanishing gap temperature is identified as the pseudogap temperature, that is, T * , which is the maximum of all Tc(r). Below T * , due to the distribution of Tc(r)'s, there are some superconducting regions surrounded by insulator or metallic medium. The transition to a coherent superconducting state corresponds to the percolation threshold among the superconducting regions with different Tc(r)'s. The charge inhomogeneities have been studied by recent STM/S experiments which provided a model for our phenomenological distribution. To make definite calculations and compare with the experimental results, we derive phase diagrams for the BSCO, LSCO and YBCO families, with a mean field theory for superconductivity using an extended Hubbard Hamiltonian. We show also that this novel approach provides new insights on several experimental features of high-Tc oxides.

Phase separation has been observed by several different experiments and it is believed to be closely related with the physics of cuprates but its exactly role is not yet well known. We propose that the onset of pseudogap phenomenon or the upper pseudogap temperature T * has its origin in a spontaneous phase separation transition at the temperature T ps = T * . In order to perform quantitative calculations, we use a Cahn-Hilliard (CH) differential equation originally proposed to the studies of alloys and on a spinodal decomposition mechanism. Solving numerically the CH equation it is possible to follow the time evolution of a coarse-grained order parameter which satisfies a Ginzburg-Landau free-energy functional commonly used to model superconductors. In this approach, we follow the process of charge segregation into two main equilibrium hole density branches and the energy gap normally attributed to the upper pseudogap arises as the free-energy potential barrier between these two equilibrium densities below T ps . This simulation provides quantitative results in agreement with the observed stripe and granular pattern of segregation. Furthermore, with a Bogoliubov-deGennes (BdG) local superconducting critical temperature calculation for the lower pseudogap or the onset of local superconductivity, it yields novel interpretation of several non-conventional measurements on cuprates.

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