Autor(es):
Floris, A. 
; Sanna, A. ; Lüders, M. ; Profeta, G. ; Lathiotakis, N. N. ; Marques, M. A. L. ; Franchini, C. ; Gross, E. K. U. ; Continenza, A. ; Massidda, S.
Data: 2007
Identificador Persistente: http://hdl.handle.net/10316/4376
Origem: Estudo Geral - Universidade de Coimbra
Assunto(s): Superconductivity
Descrição
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 [mu]*, 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 [sigma] and [pi] states, thereby stabilizing the observed superconducting phase. http://www.sciencedirect.com/science/article/B6TVJ-4N20714-2/1/b96566edc28b627f83c5f7d5284e0300
