Superconductivity near the vibrational-mode instability in MgCNi3

Document Type

Article

Publication Date

12-23-2003

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. © 2003 The American Physical Society.

Identifier

0742305064 (Scopus)

Publication Title

Physical Review B Condensed Matter and Materials Physics

External Full Text Location

https://doi.org/10.1103/PhysRevB.68.220504

e-ISSN

1550235X

ISSN

10980121

Issue

22

Volume

68

Grant

0238188

Fund Ref

National Science Foundation

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