Abstract
The electronic structures of Sr2CuO2F2, Sr2CuO2Cl2, and Ca2CuO2Cl2 are investigated by means of the full-potential linear muffin-tin orbital method. As in other high-Tc cuprates, the electronic structures of these compounds display strong two-dimensional features including a low density of states at EF and a simple Fermi surface of the form of a rounded square. A major van Hove saddle-point singularity exists near the Fermi level. We predict the optimum superconductivity properties in these materials to occur when doped by 0.35-0.38 holes per unit cell.
| Original language | English |
|---|---|
| Pages (from-to) | 6675-6679 |
| Number of pages | 5 |
| Journal | Physical Review B |
| Volume | 51 |
| Issue number | 10 |
| DOIs | |
| Publication status | Published - 1995 |
ASJC Scopus subject areas
- Condensed Matter Physics
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Novikov, D. L., Freeman, A. J., & Jorgensen, J. D. (1995). Electronic structure of superconductors without apical oxygen: Sr2CuO2F2, Sr2CuO2Cl2, and Ca2CuO2Cl2. Physical Review B, 51(10), 6675-6679. https://doi.org/10.1103/PhysRevB.51.6675