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Phys. Rev. B 71, 134511 (2005) [6 pages]

Carbon substitutions in MgB2 within the two-band Eliashberg theory

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G. A. Ummarino*, D. Daghero, and R. S. Gonnelli
Dipartimento di Fisica, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
and INFM-LAMIA, Corso Perrone 24, 16152 Genova, Italy

A. H. Moudden
Laboratoire Léon Brillouin, CEA-CNRS, CE Saclay, 91191 Gif-sur-Yvette, France

Received 7 September 2004; revised 9 December 2004; published 18 April 2005

We study the effects of C substitutions in MgB2 within the two-band model in the Eliashberg formulation. We use as input the B-B stretching-mode frequency and the partial densities of states NNσ(EF) and NNπ(EF), recently calculated for Mg(B1−xCx)2 at various x values from first-principles density functional methods. We then take the prefactor in the Coulomb pseudopotential matrix, μ, and the interband scattering parameter, Γσπ, as the only adjustable parameters. The dependence on the C content of Tc and of the gaps (Δσ and Δπ) recently measured in Mg(B1−xCx)2 single crystals indicate an almost linear decrease of μ on increasing x, with an increase in interband scattering that makes the gaps merge at x=0.132. In polycrystals, instead, where the gap merging is not observed, the fit of the experimental data is obtained without the presence of interband scattering.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.71.134511
DOI:
10.1103/PhysRevB.71.134511
PACS:
74.45.+c, 74.70.Ad, 74.25.Op

*Electronic address: giovanni.ummarino@infm.polito.it