Phonon band structure and electron-phonon interaction in metallic nanowires

Verstraete, M.;Gonze, Xavier
(2006) Physical Review. B, Condensed Matter — Vol. 74, n° 153408, p. 1-4 (2006)

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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-ofmagnitude changes depending on the nanowire structure.
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Verstraete, M., & Gonze, X. (2006). Phonon band structure and electron-phonon interaction in metallic nanowires. Physical Review. B, Condensed Matter, 74(153408), 1-4. https://doi.org/10.1103/PhysRevB.74.153408 (Original work published 2006)