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Effects of C, Cu, and Be substitutions in superconducting (formula presented)

Publication ,  Journal Article
Mehl, MJ; Papaconstantopoulos, DA; Singh, DJ
Published in: Physical Review B - Condensed Matter and Materials Physics
January 1, 2001

Density functional calculations are used to investigate the effects of partial substitutional alloying of the B site in (formula presented) 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, (formula presented) values of 50 K may be attainable. © 2001 The American Physical Society.

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Published In

Physical Review B - Condensed Matter and Materials Physics

DOI

EISSN

1550-235X

ISSN

1098-0121

Publication Date

January 1, 2001

Volume

64

Issue

14

Related Subject Headings

  • Fluids & Plasmas
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences
 

Citation

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Mehl, M. J., Papaconstantopoulos, D. A., & Singh, D. J. (2001). Effects of C, Cu, and Be substitutions in superconducting (formula presented). Physical Review B - Condensed Matter and Materials Physics, 64(14). https://doi.org/10.1103/PhysRevB.64.140509
Mehl, M. J., D. A. Papaconstantopoulos, and D. J. Singh. “Effects of C, Cu, and Be substitutions in superconducting (formula presented).” Physical Review B - Condensed Matter and Materials Physics 64, no. 14 (January 1, 2001). https://doi.org/10.1103/PhysRevB.64.140509.
Mehl MJ, Papaconstantopoulos DA, Singh DJ. Effects of C, Cu, and Be substitutions in superconducting (formula presented). Physical Review B - Condensed Matter and Materials Physics. 2001 Jan 1;64(14).
Mehl, M. J., et al. “Effects of C, Cu, and Be substitutions in superconducting (formula presented).” Physical Review B - Condensed Matter and Materials Physics, vol. 64, no. 14, Jan. 2001. Scopus, doi:10.1103/PhysRevB.64.140509.
Mehl MJ, Papaconstantopoulos DA, Singh DJ. Effects of C, Cu, and Be substitutions in superconducting (formula presented). Physical Review B - Condensed Matter and Materials Physics. 2001 Jan 1;64(14).

Published In

Physical Review B - Condensed Matter and Materials Physics

DOI

EISSN

1550-235X

ISSN

1098-0121

Publication Date

January 1, 2001

Volume

64

Issue

14

Related Subject Headings

  • Fluids & Plasmas
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences