Abstract
Ab-initio electronic band structure calculations are presented for the perovskite La 2CuO 4 and for this material doped with Sr for a supercell of composition La 3SrCu 2O 8. This material is close to the high Tc superconductor La 2−xSr xCuO 4 discovered recently. The Sr doping gives rise to strong valence fluctuations. We discuss the effect of the valence fluctuations on the stability of the lattice, indicating a small value of U and enhancing the electron-phonon coupling λ, mainly by a mechanism of incipient peroxide formation.
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