Role of the Madelung energy in hole conductivity in copper oxides: Difference between semiconductors and high- T sub c superconductors

Journal Article · Mon Oct 02 04:00:00 EDT 1989 · Physical Review Letters; (USA)

DOI:https://doi.org/10.1103/PhysRevLett.63.1515· OSTI ID:5247138

Torrance, J B ^[1]; Metzger, R M ^[2]

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1. IBM Research Division, Almaden Research Center, 650 Harry Road, San Jose, California 95120-6099 (USA)
2. Chemistry Department, University of Alabama, Tuscaloosa, Alabama 35487-0336 (USA)

The difference in Madelung site potential, {Delta}{ital V}{sub {ital M}}, between a hole on a copper site and one on an oxygen site can control the hole's site preference and ability to delocalize. Among a variety of copper oxide structures, {ital e}{Delta}{ital V}{sub {ital M}} is shown to vary by {similar to}3 eV and to clearly separate two classes of compounds: Those with {ital e}{Delta}{ital V}{sub {ital M}}{gt}47 eV are metallic with high {ital T}{sub {ital c}} and delocalized holes, whereas those with lower {Delta}{ital V}{sub {ital M}} are semiconducting because their holes are self-trapped on oxygen.

• OSTI ID: 5247138
• Journal Information: Physical Review Letters; (USA), Journal Name: Physical Review Letters; (USA) Vol. 63:14; ISSN PRLTA; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
CHALCOGENIDES
COPPER COMPOUNDS
COPPER OXIDES
DATA
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
HOLES
INFORMATION
MATERIALS
NUMERICAL DATA
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
SEMICONDUCTOR MATERIALS
SHEETS
SUPERCONDUCTORS
THEORETICAL DATA
TRANSITION ELEMENT COMPOUNDS
TRAPPING