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Electron-phonon coupling and d-wave superconductivity in the cuprates

Jinsuk Song, James F. Annett

DOI 10.1103/PhysRevB.51.3840 · Physical Review B

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Abstract

We derive an effective single-band Hubbard-type Hamiltonian for CuO2 planes in the cuprate high-Tc 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 t=0.66 eV, t’=-0.14 eV, and U=4.0 eV. Very similar parameters are obtained by exact diagonalization of finite clusters. The electron-phonon coupling to oxygen breathing modes gives λ=0.57 for s-wave and λ=0.35 for dx2-y2 pairing. d-wave superconductivity is predicted to occur at 30 K for doped La2CuO4, while the strong Coulomb repulsion suppresses the s-wave Tc to 10 K.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
La2CuO4

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30Pressure not reportedunknown
La2CuO4

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

10Pressure not reportedunknown

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