Effects of C, Cu and Be substitutions in superconducting MgB2

Details Effects of C, Cu and Be substitutions in superconducting MgB2 Effects of C, Cu and Be substitutions in superconducting MgB2

2001-04-27

arxiv.org/abs/cond-mat/0104548v1

Physics

Condensed Matter

Superconductivity

5 pages, 4 figures

Scientific paper

10.1103/PhysRevB.64.140509

Density functional calculations are used to investigate the effects of partial substitutional alloying of the B site in MgB2 with C and Be alone and combined with alloying of the Mg site with Cu. The effect of such substitutions on the electronic structure, electron phonon coupling and superconductivity are discussed. We find that Be substitution for B is unfavorable for superconductivity as it leads to a softer lattice and weaker electron-phonon couplings. Replacement of Mg by Cu leads to an increase in the stiffness and doping level at the same time, while the carrier concentration can be controlled by partial replacement of B by C. We estimate that with full replacement of Mg by Cu and fractional substitution of B by C, Tc values of 50K may be attainable.

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