Physics – Condensed Matter – Superconductivity
Scientific paper
2010-12-15
Phys. Rev. B 82, (2010) 224508
Physics
Condensed Matter
Superconductivity
18 pages, 6 figures
Scientific paper
10.1103/PhysRevB.82.224508
We have studied the electron-phonon and superconducting properties of the Mg{1-x}AlxB2 and MgB{2(1-y)}C{2y} alloys within the framework of density functional theory using the self-consistent virtual-crystal approximation. For both alloys, the Eliashberg spectral functions and the electron-phonon coupling constants have been calculated in the two-band model for several concentrations up to x(Al)=0.55 and y(C)=0.175. We solved numerically the two-band Eliashberg gap equations without considering interband scattering. Using a single parameter for the Coulomb pseudopotential, which was determined for the undoped compound, we were able to reproduce the experimental doping dependence of Delta_sigma, Delta_pi, and T_c for both alloys on a quantitative level. In particular, the observed differences in the doping range of superconductivity between Al and C doping indicate a pronounced influence of the doping site, which can be explained naturally in the present approach without the need to invoke interband scattering, suggesting that this factor plays only a minor role.
Bohnen Klaus Peter
Coss Romeo de
Heid Rolf
la Peña-Seaman O. de
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