Electronic structure of YBa sub 2 (Cu sub 1 minus x Ni sub x ) sub 3 O sub 7 in terms of the real-space-scattering coherent-potential approximation

Journal Article · Tue Jan 01 00:00:00 EST 1991 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.43.519· OSTI ID:6072471

Szunyogh, L; Weinberger, P ^[1]; Podloucky, R ^[2]

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1. Institute fuer Technische Elektrochemie, Technische Universitaet Wien, Wien, Austria (AT)
2. Institut fuer Physikalische Chemie, Universitaet Wien, Wien (Austria)

Effects of Ni cation substitution on the copper sites are examined in the Y-Ba-Cu-O system in the concentration range 0{le}{ital x}{le}0.15. The ferromagnetic and two types of antiferromagnetic substitution are considered for both copper sublattices. Pronounced differences between these types of doping'' in terms of partial densities of state (DOS), the Fermi level, and the DOS at the Fermi level are found only in the case when the Cu(1) sublattice is doped.'' The calculated x-ray emission and x-ray photoemission spectra show distinct differences between chain or plane alloying; however, they are clearly too insensitive to provide information about the preferred type of the magnetic arrangement.''

• OSTI ID: 6072471
• Journal Information: Physical Review, B: Condensed Matter; (USA), Vol. 43:1; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BARIUM OXIDES
ELECTRONIC STRUCTURE
COPPER OXIDES
NICKEL OXIDES
YTTRIUM OXIDES
EMISSION SPECTRA
ENERGY-LEVEL DENSITY
FERMI LEVEL
HIGH-TC SUPERCONDUCTORS
PHOTOELECTRON SPECTROSCOPY
X-RAY SPECTRA
ALKALINE EARTH METAL COMPOUNDS
BARIUM COMPOUNDS
CHALCOGENIDES
COPPER COMPOUNDS
ELECTRON SPECTROSCOPY
ENERGY LEVELS
NICKEL COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
SPECTRA
SPECTROSCOPY
SUPERCONDUCTORS
TRANSITION ELEMENT COMPOUNDS
YTTRIUM COMPOUNDS
360204* - Ceramics
Cermets
& Refractories- Physical Properties