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

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

2001-02-27

arxiv.org/abs/cond-mat/0102499v4

Phys. Rev. B64, 020501(R) (2001)

Physics

Condensed Matter

Superconductivity

5 pages, 3 ps figures, Accepted for Phys. Rev. B Rapid Commun

Scientific paper

10.1103/PhysRevB.64.020501

For the 40K-superconductor MgB2 we have calculated the electronic and phononic structures and the electron-phonon interaction throughout the Brillouin zone ab initio. In contrast to the isoelectronic graphite, MgB2 has holes in the bonding sigma-bands, which contribute 42 per cent to the density of states: N(0) =0.355 states/(MgB2 eV spin). The total interaction strength, lambda =0.87 and lambda,tr=0.60, is dominated by the coupling of the sigma-holes to the bond-stretching optical phonons with wavenumbers in a narrow range around 590 cm^{-1}. Like the holes, these phonons are quasi two-dimensional and have wave-vectors close to Gamma-A, where their symmetry is E. The pi-electrons contribute merely 0.25 to lambda and to lambda,tr. With Eliashberg theory we evaluate the normal-state resistivity, the density of states in the superconductor, and the B-isotope effect on Tc and Delta0, and find excellent agreement with experiments, when available. Tc=40 K is reproduced with mu*=0.10 and 2Delta0/kB Tc=3.9. MgB2 thus seems to be an intermediate-coupling e-ph pairing s-wave superconductor.

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