Verstraete, M.
Gonze, Xavier
[UCL]
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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Bibliographic reference |
Verstraete, M. ; Gonze, Xavier. Phonon band structure and electron-phonon interaction in metallic nanowires. In: Physical Review. B, Condensed Matter, Vol. 74, no. 153408, p. 1-4 (2006) |
Permanent URL |
http://hdl.handle.net/2078.1/86701 |