Superconductivity near the vibrational mode instability in MgCNi3

Details Superconductivity near the vibrational mode instability in MgCNi3 Superconductivity near the vibrational mode instability in MgCNi3

2003-04-21

arxiv.org/abs/cond-mat/0304466v2

Physics

Condensed Matter

Superconductivity

4 pages, 4 eps figures, replaces the older version

Scientific paper

10.1103/PhysRevB.68.220504

To understand the role of electron-phonon interaction in superconducting MgCNi$_{3}$ we have performed density functional based linear response calculations of its lattice dynamical properties. A large coupling constant $% \lambda $= 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.

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