Sy. Savrasov et Ok. Andersen, LINEAR-RESPONSE CALCULATION OF THE ELECTRON-PHONON COUPLING IN DOPED CACUO2, Physical review letters, 77(21), 1996, pp. 4430-4433
Using density-functional linear-response theory, we calculate the elec
tron-phonon interaction for s- and d-wave pairing in the 0.24 hole dop
ed infinite-layer compound CaCuO2. We find lambda(x2-y2) similar to 0.
3 to be positive and only slightly smaller than lambda(s) similar to 0
.4. This suggests that the electron-phonon mechanism alone is insuffic
ient to explain the high T-c but could enhance another d-wave pairing
mechanism. Results of calculated lattice dynamics and transport proper
ties are also presented and discussed. Out-of-plane distortions are fo
und essential for the stability.