Electron-Phonon Coupling in Boron-Doped Diamond Superconductor

Details Electron-Phonon Coupling in Boron-Doped Diamond Superconductor Electron-Phonon Coupling in Boron-Doped Diamond Superconductor

2004-06-19

arxiv.org/abs/cond-mat/0406446v3

Phys. Rev. B 70, 212504 (2004)

Physics

Condensed Matter

Superconductivity

11 pages, 4 figures, Accepted by PRB

Scientific paper

10.1103/PhysRevB.70.212504

The electronic structure, lattice dynamics, and electron-phonon coupling of the boron-doped diamond are investigated using the density functional supercell method. Our results indicate the boron-doped diamond is a phonon mediated superconductor, con rming previous theoretical conclusions deduced from the calculations employing the virtual crystal approximation. We show that the optical phonon modes involving B vibrations play an important role in the electron-phonon coupling. Di erent from previous theoretical results, our calculated electron-phonon coupling constant is 0.39 and the estimated superconducting transition temperature Tc is 4.4 K for the boron doped diamond with 2.78% boron content using the Coulomb pseudopotential \mu*= 0.10, in excellent agreement with the experimental result.

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