Physics – Condensed Matter – Superconductivity
Scientific paper
1997-03-27
Journal of Low Temp. Physics, Vol. 105, 285, 1996
Physics
Condensed Matter
Superconductivity
19 pages, 9 Postscript figures, Latex
Scientific paper
10.1007/BF00768402
The equilibrium structure, energy bands, phonon dispersions, and s- and d-channel electron-phonon interactions (EPIs) are calculated for the infinite-layer superconductor CaCuO2 doped with 0.24 holes per CuO2. The LDA and the linear-response full-potential LMTO method were used. In the equilibrium structure, oxygen is found to buckle slightly out of the plane and, as a result, the characters of the energy bands near EF are found to be similar to those of other optimally doped HTSCs. For the EPI we find lambda(s)=0.4, in accord with previous LDA calculations for YBa2Cu3O7. This supports the common belief that the EPI mechanism alone is insufficient to explain HTSC. Lambda(x^2-y^2) is found to be positive and nearly as large as lambda(s). This is surprising and indicates that the EPI could enhance some other d-wave pairing mechanism. Like in YBa2Cu3O7, the buckling modes contribute significantly to the EPI, although these contributions are proportional to the static buckling and would vanish for flat planes. These numerical results can be understood from a generic tight-binding model originally derived from the LDA bands of YBa2Cu3O7. In the future, the role of anharmonicity of the buckling-modes and the influence of the spin-fluctuations should be investigated.
Andersen Ole Krogh
Jepsen Ove
Liechtenstein A. I.
Savrasov Sergej Y.
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