Status of trivalent copper and charge-transfer excitons in high-Tc cuprates
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | POUCHARD, Michel | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | DOUMERC, Jean-Pierre | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | VILLESUZANNE, Antoine | |
| dc.date.issued | 2008 | |
| dc.identifier.issn | 0020-1669 | |
| dc.description.abstractEn | 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-TC superconducting cuprates and related compounds. This work provides rational insight and explanations for issues such as (i) the actual oxidation number CuI+ for formally trivalent copper in oxides such as La2Li1/2Cu1/2O4, (ii) the dominant oxygen character of the doping holes in (CuO2)n− planes, (iii) the Mott−Hubbard character of the insulator-to-metal transition triggered by hole doping, leading to an oxygen-to-copper charge transfer of avalanche type, (iv) the occurrence of an excitonic phase with anisotropic Frenkel-type excitons, (v) the role of Coulomb interactions between excitons and between doping holes and their exciton surroundings, and (vi) the on-time pairing of doping holes by means of an “excitonic glue”. | |
| dc.language.iso | en | |
| dc.publisher | American Chemical Society | |
| dc.subject.en | Cuprates | |
| dc.subject.en | High-Tc | |
| dc.subject.en | Copper | |
| dc.subject.en | Charge transfer | |
| dc.title.en | Status of trivalent copper and charge-transfer excitons in high-Tc cuprates | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1021/ic801031y | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Inorganic Chemistry | |
| bordeaux.page | 8487-8497 | |
| bordeaux.volume | 47 | |
| bordeaux.issue | 19 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00327224 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00327224v1 | |
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