Electronic structure and crystal chemistry of TlBa2CuO5 and related cuprate superconductors
L. F. Mattheiss
DOI 10.1103/PhysRevB.42.10108 · Physical Review B
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Abstract
In contrast to the fixed Cu valence (∼2+) in the Tl-bilayer cuprate superconductors, the average formal valence of Cu in the Tl-monolayer compounds TlBa2Can−1CunO2n+3 varies as (2+n−1)+. This characteristic is reflected in linear augmented-plane-wave band-structure results for the simplest n=1 member of this Tl-monolayer homologous series, TlBa2CuO5, where the filling (∼0.16) of the planar Cu(3d)-O(2p) σ* band is reduced well below one-half. It is shown that the 50-50 Ba-La alloy is an appropriate ‘‘parent’’ compound for this n=1 phase since the half-filled-band condition is restored. For any member of this Tl-monolayer series, the optimal doping for high-temperature superconductivity should involve a combination of structural and chemical contributions.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| TlBa2CuO5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0 | Pressure not reported | unknown |
| TlBa2CaCu2O7 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 80 | Pressure not reported | unknown |
| TlBa2Ca2Cu3O9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 110 | Pressure not reported | unknown |
| TlBa2Ca3Cu4O11 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 122 | Pressure not reported | unknown |
| TlBa2Ca4Cu5O13 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 110 | Pressure not reported | unknown |
| TlBa2-xLaxCuO5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 40 | Pressure not reported | unknown |
| TlSrLaCuO5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 40 | Pressure not reported | unknown |
| TlBa2CuO5-δ Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 15 | Pressure not reported | unknown |
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