Superconducting properties of MgB2 from first principles

Floris, A. and Profeta, G. and Lathiotakis, N. N. and Lüders, M. and Marques, M. A. L. and Franchini, C. and Gross, E. K. U. and Continenza, A. and Massidda, S. (2005) Superconducting properties of MgB2 from first principles. Physical Review Letters, 94 (3). ISSN 0031-9007

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Item Type:Article
Item Status:Live Archive

Abstract

Solid MgB2 has rather interesting and technologically important properties, such as a very high superconducting transition temperature. Focusing on this compound, we report the first nontrivial application of a novel density-functional-type theory for superconductors, recently proposed by the authors. Without invoking any adjustable parameters, we obtain the transition temperature, the gaps, and the specific heat of MgB2 in very good agreement with experiment. Moreover, our calculations show how the Coulomb interaction acts differently on σ and π states, thereby stabilizing the observed superconducting phase.

Keywords:Superconductors
Subjects:F Physical Sciences > F321 Solid state Physics
Divisions:College of Science > School of Mathematics and Physics
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ID Code:22812
Deposited On:05 Jun 2016 21:23

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