Specific heat of MgB2 in a one- and a two-bandmodel from first-principles calculations

A A Golubov; J Kortus; O V Dolgov; O Jepsen; Y Kong; O K Andersen; B J Gibson; K Ahn; R K Kremer

doi:10.1088/0953-8984/14/6/320

Journal of Physics: Condensed Matter

Specific heat of MgB₂ in a one- and a two-band model from first-principles calculations

A A Golubov¹, J Kortus², O V Dolgov², O Jepsen², Y Kong², O K Andersen², B J Gibson², K Ahn² and R K Kremer²

Published 1 February 2002 • Published under licence by IOP Publishing Ltd
Journal of Physics: Condensed Matter, Volume 14, Number 6 Citation A A Golubov et al 2002 J. Phys.: Condens. Matter 14 1353 DOI 10.1088/0953-8984/14/6/320

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¹ University of Twente, Department of Applied Physics, 7500 AE Enschede, The Netherlands

² Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany

Dates

Received 23 November 2001
Published 1 February 2002

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Abstract

The heat capacity anomaly at the transition to superconductivity of the layered superconductor MgB₂ is compared to first-principles calculations with the Coulomb repulsion, µ*, as the only parameter which is fixed to give the measured T_c. We solve the Eliashberg equations for both an isotropic one-band model and a two-band model with different superconducting gaps on the π-band and σ-band Fermi surfaces. The agreement with experiments is considerably better for the two-band model than for the one-band model.

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Specific heat of MgB2 in a one- and a two-band model from first-principles calculations