Status of Trivalent Copper and Charge-Transfer Excitons in High-T C Cuprates

A chemical bonding approach based on tight-binding cluster and band calculations, taking into account on-site Coulomb repulsion (Hubbard U parameter) to differentiate doubly and singly occupied states, was applied to high-T C superconducting cuprates and related compounds. This work provides rationa...

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Veröffentlicht in:	Inorganic chemistry 2008-10, Vol.47 (19), p.8487-8497
Hauptverfasser:	Pouchard, Michel, Doumerc, Jean-Pierre, Villesuzanne, Antoine
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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