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Density functional calculations are used to investigate the effects ofpartial substitutional alloying of the B site in MgB2 with C and Be alone andcombined with alloying of the Mg site with Cu. The effect of such substitutionson the electronic structure, electron phonon coupling and superconductivity arediscussed. We find that Be substitution for B is unfavorable forsuperconductivity as it leads to a softer lattice and weaker electron-phononcouplings. Replacement of Mg by Cu leads to an increase in the stiffness anddoping level at the same time, while the carrier concentration can becontrolled by partial replacement of B by C. We estimate that with fullreplacement of Mg by Cu and fractional substitution of B by C, Tc values of 50Kmay be attainable.Comment: 5 pages, 4 figure

physical review. b, condensed matter

Effects of C, Cu, and Be substitutions in superconducting<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">MgB</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

Effects of C, Cu, and Be substitutions in superconductingMgB2