Electron-Phonon Coupling in Boron-Doped Diamond Superconductor

Abstract

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 μ*= 0.10, in excellent agreement with the experimental result.

11 pages, 4 figures, Accepted by PRB

References in corpus (5)

• Phonons and related properties of extended systems from density-functional perturbation theory
• Superconductivity in diamond
• Superconductivity of MgB2: Covalent Bonds Driven Metallic
• First-Principles Calculation of the Superconducting Transition in MgB2 within the Anisotropic Eliashberg Formalism
• Anharmonic phonon frequency shift in MgB2

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