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Oxygen Configurations and their Effect on Charge Transfer in YBa2Cu3OZ

  • Ryan Mccormack (a1), Gerbrand Ceder (a2) and Didier De Fontaine (a1)

Abstract

The relationship between oxygen structure, charge transfer (hole count), and oxygen content in the YBa2Cu3Oz superconductor is studied by combining Monte-Carlo simulation with existing electronic structure calculations. The present model proposes an expansion of the hole count in terms of oxygen configuration variables for states of an arbitrary degree of order. Calculations of hole count as a function of oxygen content suggest that oxygen ordering is, at least in part, responsible for the observed plateau structure of Tc vs. oxygen content z.

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