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• W2037642213 abstract "Density functional calculations are used to investigate the effects of partial substitutional alloying of the B site in ${mathrm{MgB}}_{2}$ with C and Be alone and combined with substitution of Mg by 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 increases the lattice stiffness and electron count. We estimate that with full replacement of Mg by Cu and fractional substitution of B by C, ${T}_{c}$ values of 50 K may be attainable." @default.
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• W2037642213 date "2001-09-18" @default.
• W2037642213 modified "2023-09-24" @default.
• W2037642213 title "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>" @default.
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• W2037642213 doi "https://doi.org/10.1103/physrevb.64.140509" @default.
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