The electronic structure and properties of LaY(Formula presented)(Formula presented)(Formula presented)(Formula presented), as a typical member of the (Formula presented) family, were determined by means of the full-potential linear muffin-tin method. From the results obtained it appears that (Formula presented) may be a good candidate for high-(Formula presented) superconductivity since its band structure at the Fermi energy is dominated by a quasi-two-dimensional Cu-O (Formula presented) 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 (Formula presented) in these materials. The role of different structural imperfections on the (Formula presented) 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 language||English (US)|
|Number of pages||5|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Jan 1 1996|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics