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The electronic structure, lattice dynamics, and electron-phonon coupling ofthe boron-doped diamond are investigated using the density functional supercellmethod. Our results indicate the boron-doped diamond is a phonon mediatedsuperconductor, con rming previous theoretical conclusions deduced from thecalculations employing the virtual crystal approximation. We show that theoptical phonon modes involving B vibrations play an important role in theelectron-phonon coupling. Di erent from previous theoretical results, ourcalculated electron-phonon coupling constant is 0.39 and the estimatedsuperconducting transition temperature Tc is 4.4 K for the boron doped diamondwith 2.78% boron content using the Coulomb pseudopotential \mu*= 0.10, inexcellent agreement with the experimental result.Comment: 11 pages, 4 figures, Accepted by PR

Electron-phonon coupling in a boron-doped diamond superconductor