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Title: Electron-phonon coupling and [ital d]-wave superconductivity in the cuprates

Journal Article · · Physical Review, B: Condensed Matter; (United States)
;  [1]
  1. Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

We derive an effective single-band Hubbard-type Hamiltonian for CuO[sub 2] planes in the cuprate high-[ital T][sub [ital c]] superconductors. The Hamiltonian includes both electron-electron repulsion and electron-phonon coupling to oxygen vibrational modes. The effective Hamiltonian is derived by mapping from the multiband constrained-density-functional-theory Hamiltonian to a one-band model. A Hartree-Fock mapping leads to [ital t]=0.66 eV, [ital t][prime]=[minus]0.14 eV, and [ital U]=4.0 eV. Very similar parameters are obtained by exact diagonalization of finite clusters. The electron-phonon coupling to oxygen breathing modes gives [lambda]=0.57 for [ital s]-wave and [lambda]=0.35 for [ital d][sub [ital x]][sup 2][minus][ital y][sup 2] pairing. [ital d]-wave superconductivity is predicted to occur at 30 K for doped La[sub 2]CuO[sub 4], while the strong Coulomb repulsion suppresses the [ital s]-wave [ital T][sub [ital c]] to 10 K.

OSTI ID:
6599525
Journal Information:
Physical Review, B: Condensed Matter; (United States), Vol. 51:6; ISSN 0163-1829
Country of Publication:
United States
Language:
English