Quadruple perovskites L′L″Ba2Cu2Ti2O11 as good candidates for high-temperature superconductors

Role of oxygen defects

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Abstract

The electronic structure and properties of LaYBa2Cu2Ti2O11, as a typical member of the L′L″Ba2Cu2Ti2O11 family, were determined by means of the full-potential linear muffin-tin method. From the results obtained it appears that L′L″Ba2Cu2Ti2O11 may be a good candidate for high-Tc superconductivity since its band structure at the Fermi energy is dominated by a quasi-two-dimensional Cu-O dpσ band with a prominent van Hove singularity. We suggest that hole doping of about 0.6 holes per unit cell (or 0.3 holes per Cu-O layer) through mono- and/or divalent metal substitution for lanthanides may lead to an optimum Tc in these materials. The role of different structural imperfections on the Tc that apparently could be created in the process of chemical doping - oxygen impurities between the Cu-O layers and oxygen vacancies in the Ti-O plane - was also determined. We found that these likely structural imperfections are unfavorable for the creation of the superconducting state in these materials.

Original languageEnglish
Pages (from-to)9448-9452
Number of pages5
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume53
Issue number14
Publication statusPublished - Apr 1 1996

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High temperature superconductors
perovskites
high temperature superconductors
Doping (additives)
Oxygen
Lanthanoid Series Elements
Defects
Tin
defects
oxygen
Oxygen vacancies
Superconductivity
Fermi level
Rare earth elements
Electronic properties
Band structure
Electronic structure
Substitution reactions
Metals
Impurities

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

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abstract = "The electronic structure and properties of LaYBa2Cu2Ti2O11, as a typical member of the L′L″Ba2Cu2Ti2O11 family, were determined by means of the full-potential linear muffin-tin method. From the results obtained it appears that L′L″Ba2Cu2Ti2O11 may be a good candidate for high-Tc superconductivity since its band structure at the Fermi energy is dominated by a quasi-two-dimensional Cu-O dpσ band with a prominent van Hove singularity. We suggest that hole doping of about 0.6 holes per unit cell (or 0.3 holes per Cu-O layer) through mono- and/or divalent metal substitution for lanthanides may lead to an optimum Tc in these materials. The role of different structural imperfections on the Tc that apparently could be created in the process of chemical doping - oxygen impurities between the Cu-O layers and oxygen vacancies in the Ti-O plane - was also determined. We found that these likely structural imperfections are unfavorable for the creation of the superconducting state in these materials.",
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T1 - Quadruple perovskites L′L″Ba2Cu2Ti2O11 as good candidates for high-temperature superconductors

T2 - Role of oxygen defects

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AU - Freeman, Arthur J

AU - Poeppelmeier, Kenneth R

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AB - The electronic structure and properties of LaYBa2Cu2Ti2O11, as a typical member of the L′L″Ba2Cu2Ti2O11 family, were determined by means of the full-potential linear muffin-tin method. From the results obtained it appears that L′L″Ba2Cu2Ti2O11 may be a good candidate for high-Tc superconductivity since its band structure at the Fermi energy is dominated by a quasi-two-dimensional Cu-O dpσ band with a prominent van Hove singularity. We suggest that hole doping of about 0.6 holes per unit cell (or 0.3 holes per Cu-O layer) through mono- and/or divalent metal substitution for lanthanides may lead to an optimum Tc in these materials. The role of different structural imperfections on the Tc that apparently could be created in the process of chemical doping - oxygen impurities between the Cu-O layers and oxygen vacancies in the Ti-O plane - was also determined. We found that these likely structural imperfections are unfavorable for the creation of the superconducting state in these materials.

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