Abstract

We report local-density-approximation-based electronic-structure calculations for the compound LiPdH. As in the case of the recently discovered family of CuO{sub 2}-based superconductors, LiPdH{sub {ital x}} is predicted to be a metal with substantial ionic character. We have used the band-structure results to calculate the McMillan-Hopfield parameters within the rigid muffin-tin approximation. These parameters have values close to those of PdH and lead to the prediction that LiPdH{sub {ital x}} may be a good superconductor.

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