Bonds, bands, charge transfer excitations and superconductivity of YBa2Cu3O7-δ

Jaejun Yu*, S. Massidda, A. J. Freeman, D. D. Koeling

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

323 Scopus citations


The different energy dispersion and Fermi surfaces arising from the bands which dominate the electronic band structure near EF in YBa2Cu3O7-δ are presented and related to their orbital charge density distributions for the Cu2 plane and Cu1 chain arrangements thereby relating their physical and chemical descriptions. Magnetic isolation of the Y ions is found to explain the existence of high Tc superconductivity of the RBa2Cu3O7-δ compounds (where R = magnetic heavy lanthanides). A conventional phonon mechanism is found to be inadequate for obtaining high Tc. Charge transfer excitations ("excitons") of occupied Cu1-O dpπ bonding orbitals into their empty Cu1-O dpσ antibonding orbital partners result in poorly screened Cu3+-Cu4+-like charge fluctuations which induce attractive interactions (-U centers) both in the chains and to the 2D (Cu2) bands-thereby promoting the high Tc via exchange of these "excitons".

Original languageEnglish (US)
Pages (from-to)203-208
Number of pages6
JournalPhysics Letters A
Issue number3-4
StatePublished - Jun 8 1987

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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