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Abstract: There is growing evidence that the unconventional spatial inhomogeneities in the doped high- superconductors are accompanied by the pairing of electrons, subsequent phase transitions and condensation into coherent states. We show that such pairing states can be obtained from phase separation instabilities near level crossings. Conditions for coherent pairing instabilities are examined using exact diagonalization of Hubbard-like pyramid structures under variation of coupling and interaction strengths. We also evaluate the behavior of the energy charge gap in the vicinity of level crossings using a parametrization of coupling to the apical site to represent out-of-plane effects. These results provide a simple microscopic explanation of (correlation induced) supermodulation of the coherent pairing gap observed in scanning tunneling microscopy measurements at atomic scale in Bi2Sr2CaCu2O8+ δ . [Copyright &y& Elsevier]

Abstract: In order to assess the effects of point defects including transition metal doping on its electronic structure, the self-consistent band structure of the transparent oxide In2O3 (in the Ia3 structure) has been calculated with oxygen vacancies, oxygen and indium interstitial atoms and several transition metal dopants using density functional theory based first principles calculations. An oxygen vacancy alone does not act as a strong native donor but when combined with interstitial indium and (substitutional) transition metal doping, shallow donor levels close to the conduction band are formed. Spin polarized calculations show measurable magnetism in some of the transition metal doped systems while the dielectric functions indicate whether such systems remain transparent among other things. [Copyright &y& Elsevier]