Electronic structure of LaBa2Cu2NbO8 and related candidates for high-Tc superconductivity
L. F. Mattheiss
DOI 10.1103/PhysRevB.45.2442 · Physical Review B
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Abstract
The nominally tetragonal, triple-perovskite compound LaBa2Cu2NbO8 contains a pair of CuO2 layers that are separated by an oxygen-free La layer as well as a BaO-NbO2-BaO triple layer. The results of linear augmented-plane-wave band calculations for this (and a proposed isoelectronic Ti) compound exhibit electronic features near EF (i.e., a pair of nearly degenerate, half-filled Cudx2-y2–O px,y σ-antibonding subbands) that are characteristic of known cuprate superconductor parent compounds. This suggests that high-Tc superconductivity may be possible in appropriately doped LaBa2Cu2NbO8-, LaBa2Cu2TaO8-, or BaLa2Cu2TiO8-type samples (or their chemical equivalents), although initial efforts have been unsuccessful thus far in the case of the group-V–type materials.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| LaBa2Cu2NbO8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| BaLa2Cu2TiO8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| LaBa2Cu2TaO8 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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