Phase separation and electron pairing in repulsive Hubbard clusters

Exact thermal studies of small (4-site, 5-site and 8-site) Hubbard clusters with local electron repulsion yield intriguing insight into phase separation, charge-spin separation, pseudogaps, condensation, in particular, pairing fluctuations away from half filling (near optimal doping). These exact calculations, carried out in canonical (i.e. for fixed electron number N) and grand canonical (i.e. fixed chemical potential $\mu$) ensembles, monitoring variations in temperature T and magnetic field h, show rich phase diagrams in a T-$\mu$ space consisting of pairing fluctuations and signatures of condensation. These electron pairing instabilities are seen when the onsite Coulomb interaction U is smaller than a critical value U$_c$(T) and they point to a possible electron pairing mechanism. The specific heat, magnetization, charge pairing and spin pairing provide strong support for the existence of competing (paired and unpaired) phases near optimal doping in these clusters as observed in recent experiments in doped La$_{2-x}$Sr$_x$CuO$_{4+y}$ high T$_c$ superconductors.Comment: 5 pages, 5 figure

Tracing magnetism and pairing in FeTe-based systems

In order to examine the interplay between magnetism and superconductivity, we monitor the non- superconducting chalcogenide FeTe and follow its transitions under insertion of oxygen, doping with Se and vacancies of Fe using spin-polarized band structure methods (LSDA with GGA) starting from the collinear and bicollinear magnetic arrangements. We use a supercell of Fe8Te8 as our starting point so that it can capture local changes in magnetic moments. The calculated values of magnetic moments agree well with available experimental data while oxygen insertions lead to significant changes in the bicollinear or collinear magnetic moments. The total energies of these systems indicate that the collinear-derived structure is the more favorable one prior to a possible superconducting transition. Using a 8-site Betts-cluster-based lattice and the Hubbard model, we show why this structure favors electron or hole pairing and provides clues to a common understanding of charge and spin pairing in the cuprates, pnictides and chalcogenides