Superconductivity near the vibrational-mode instability in MgCNi3

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

Research output: Contribution to journalArticlepeer-review

50 Scopus citations

Abstract

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
Volume68
Issue number22
DOIs
StatePublished - Dec 23 2003

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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