Abstract
Results of highly precise all-electron local-density calculations are presented for the quasi-two-dimensional superconductors, La/sub 2-//sub x/M/sub x/CuO/sub 4/(M = Ba, Sr, . . . ) with x = 0 and correlated with a number of observed properties of these materials for varying x. The dominant role of the van Hove saddle-point singularity (SPS) on the density of states (DOS) and the DOS-derived properties (specific heat, magnetic susceptibility, T/sub c/) is emphasized--as is the fact that this SPS represents the classic Lifshitz transition versus x (and/or pressure) with its possible thermodynamic and galvanomagnetic anomalies. Estimates of the enhancement factor lambda from a variety of measured specific-heat values and our calculated DOS indicate that these materials may possibly be weak-coupling superconductors. Crude estimates of coherent lengths (xi/sub X/ and xi/sub perpendicular/) and upper critical fields (H/sub c//sub 2//sub X/ and H/sub c//sub 2//sub perpendicular/) are presented.
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