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Electronic Structure of the High-Tc Superconductor Ba1−xKxBiO3

L. F. Mattheiss, D. R. Hamann

DOI 10.1103/PhysRevLett.60.2681 · Physical Review Letters

T1

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Abstract

Band-structure results for ordered Ba0.5K0.5BiO3 alloys confirm that the antibonding Bi(6s)−O(2p) conduction band near EF in cubic BaBiO3 is minimally affected by substitutional K doping at the A(Ba) site. This supports the prediction that A-site doping would extend the metallic range of Ba1−xKxBiO3 closer to half filling (BaBiO3) than B-site doping (BaPb1−yBiyO3), thereby increasing both the coupling of the conduction electrons to bond-stretching O phonons and Tc. Ba1−xTxPbO3, where T is trivalent, might also exhibit favorable superconducting properties.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
Ba0.9K0.2BiO3

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22Pressure not reportedunknown
Ba0.6K0.4BiO3-y

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30Pressure not reportedonset
BaPb1-yBiyO3

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

13Pressure not reportedunknown

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