Electron-phonon interaction in the normal and superconducting states of MgB2

Preprint

27 February 2001

preprint
Published by arXiv in arXiv

Abstract

We have calculated the electronic structure in the new magnesium boron superconductor, MgB2, using density functional theory and the full-potential linear muffin-tin orbital (LMTO) method. We have, furthermore, calculated the complete phonon spectrum and the electron-phonon interaction using the linear-response LMTO method. We find that the B bond stretching modes with energies in the range from 800 to 900K have unusually strong coupling to electrons close to the Fermi energy at the top of the bonding quasi-two-dimensional sigma-band, and a total coupling constant, lambda = 0.65. We use the calculated spectral functions to evaluate various normal state and superconducting properties of MgB2.

Keywords

DENSITY FUNCTIONAL THEORY
SUPERCONDUCTING STATES
PHONON INTERACTION
ELECTRON PHONON
SUPERCONDUCTOR
MAGNESIUM
BORON
MGB2

All Related Versions

Version 1, 2001-02-27, ArXiv
Version 2, 2001-03-20, ArXiv
Version 3, 2001-03-21, ArXiv
Version 4, 2001-04-18, ArXiv
Published version: Physical Review B, 64 (2), 020501.

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