Electronic structure of superconductors without apical oxygen: Sr2CuO2F2, Sr2CuO2Cl2, and Ca2CuO2Cl2
D. L. Novikov, A. J. Freeman, J. D. Jorgensen
DOI 10.1103/PhysRevB.51.6675 · Physical Review B
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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.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Sr2CuO2F2+δ Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 46 | Pressure not reported | unknown |
| (Ca1-xNax)2CuO2Cl2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 26 | Pressure not reported | unknown |
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