Superconductivity near the vibrational-mode instability in MgCNi3

A. Yu Ignatov, S. Y. Savrasov, T. A. Tyson

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51 Scopus citations


To understand the role of electron-phonon interaction in superconducting MgCNi3 we have performed density-functional based linear response calculations of its lattice dynamical properties. A large coupling constant λ = 1.51 is predicted and contributing phonons are identified as displacements of Ni atoms towards octahedral interstitials of the perovskite lattice. Instabilities found for some vibrational modes emphasize the role of anharmonic effects in resolving experimental controversies.

Original languageEnglish (US)
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number22
StatePublished - Dec 23 2003

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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