Implications of crystal-field and intra-atomic interactions for the electronic structure of high-T/sub c/ superconductors

Journal Article · Mon Feb 01 04:00:00 EST 1988 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.37.2326· OSTI ID:5530772

Adrian, F J

The energies of Cu 3d and O 2p ion orbitals in the ion-lattice potentials of La/sub 2/CuO/sub 4/ and YBa/sub 2/Cu/sub 3/O/sub 7/, and the intra-atomic energies of various Cu/sup 3+/(3d)/sup 8/ configurations, are calculated. The results suggest that electrons removed from the CuO/sub 2/ layer to accomodate doping in La/sub 2/CuO/sub 4/ or the YBa/sub 2/Cu/sub 3/O/sub 7/ stoichiometry come not from the Cu 3d/sub x//sub <2/-y/sup =/'s and their O 2psigma bonding partners but from otherwise filled ..pi..-bonding orbitals. The resulting two types of bonds and/or bands may be important for superconductivity.

• Research Organization: Milton S. Eisenhower Research Center, Applied Physics Laboratory, The Johns Hopkins University, Laurel, Maryland 20707
• OSTI ID: 5530772
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 37:4; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
&amp; Refractories-- Physical Properties
656100 -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALKALINE EARTH METAL COMPOUNDS
BAND THEORY
BARIUM COMPOUNDS
BARIUM OXIDES
CHALCOGENIDES
CHEMICAL BONDS
COPPER COMPOUNDS
COPPER OXIDES
CRYSTAL FIELD
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
LANTHANUM COMPOUNDS
LANTHANUM OXIDES
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
RARE EARTH COMPOUNDS
SUPERCONDUCTIVITY
TRANSITION ELEMENT COMPOUNDS
YTTRIUM COMPOUNDS
YTTRIUM OXIDES