Superconductivity near the vibrational-mode instability in MgCNi3

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

doi:10.1103/PhysRevB.68.220504

Superconductivity near the vibrational-mode instability in MgCNi₃

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

Physics

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51 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 language	English (US)
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	68
Issue number	22
DOIs	https://doi.org/10.1103/PhysRevB.68.220504
State	Published - Dec 23 2003

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.68.220504

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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.",

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AB - 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.

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Superconductivity near the vibrational-mode instability in MgCNi₃

Abstract

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