Phonon band structure and electron-phonon interactions in metallic nanowires

Matthieu J. Verstraete and Xavier Gonze
Phys. Rev. B 74, 153408 – Published 16 October 2006

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.

    • Received 31 July 2006

    DOI:https://doi.org/10.1103/PhysRevB.74.153408

    ©2006 American Physical Society

    Authors & Affiliations

    Matthieu J. Verstraete1,2,* and Xavier Gonze1

    • 1Unité PCPM and CERMIN, Université Catholique de Louvain, Croix du Sud 1, B-1348 Louvain-la-Neuve, Belgium
    • 2Physics Department University of York, Heslington, YO10 5DD, United Kingdom

    • *Electronic address: mjv500@york.ac.uk

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    Issue

    Vol. 74, Iss. 15 — 15 October 2006

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