Quadruple perovskites L′L′′Ba2Cu2Ti2O11 as good candidates for high-temperature superconductors: Role of oxygen defects
D. L. Novikov, A. J. Freeman, K. R. Poeppelmeier
DOI 10.1103/PhysRevB.53.9448 · Physical Review B
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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.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| LaYBa2Cu2Ti2O11 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| Gd2Ba2Ti2Cu2O11 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
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