Superconducting properties of MgB2 from first principles

Floris, A., Sanna, A., Lüders, M. , Profeta, G., Lathiotakis, N.N., Marques, M.A.L., Franchini, C., Gross, E.K.U., Continenza, A. and Massidda, S. (2007) Superconducting properties of MgB2 from first principles. Physica C: Superconductivity, 456 (1-2). pp. 45-53. ISSN 0921-4534

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The discovery of superconductivity in MgB2, with a rather high transition temperature, has triggered a large number of theoretical and experimental investigations on important issues such as, e.g., the role of gap anisotropy over the Fermi surface (multi-gap superconductivity). We report here the results obtained in this compound using the density functional theory for superconductors, recently proposed by the authors. Without invoking any adjustable parameters, such as μ∗, we obtain the transition temperature, the gaps, and the specific heat in very good agreement with experiment. Moreover, our calculations allow for a detailed study of how the phonon-mediated attraction and Coulomb repulsion act differently on σ and π states, thereby stabilizing the observed superconducting phase.

Subjects:F Physical Sciences > F321 Solid state Physics
Divisions:College of Science > School of Mathematics and Physics
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ID Code:22805
Deposited On:07 Jun 2016 15:43

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