Phonon band structure and electron-phonon interactions in metallic nanowires

Matthieu J. Verstraete, Xavier Gonze

Research output: Contribution to journalArticlepeer-review

22 Citations (Scopus)

Abstract

We present first-principles calculations of the phonon band structure and electron-phonon coupling in thin metallic nanowires. A full Brillouin zone analysis of the phonons is mandatory for the investigation of the nanowire structural stability: all the examined unstrained nanowires show instabilities whose wave vectors are located off the zone center. The unstable phonon modes are transverse, leading to a transition without a gap opening, in contrast with the usual Peierls distortion picture. Electron-phonon coupling yields orders-of-magnitude changes depending on the nanowire structure.

Original languageEnglish
Article number153408
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume74
Issue number15
DOIs
Publication statusPublished - 2006
Externally publishedYes

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