LINEAR-RESPONSE CALCULATION OF THE ELECTRON-PHONON COUPLING IN DOPED CACUO2

Citation
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
Citations number
34
Categorie Soggetti
Physics
Journal title
ISSN journal
00319007
Volume
77
Issue
21
Year of publication
1996
Pages
4430 - 4433
Database
ISI
SICI code
0031-9007(1996)77:21<4430:LCOTEC>2.0.ZU;2-P
Abstract
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.