TY - JOUR
T1 - Phonon band structure and electron-phonon interactions in metallic nanowires
AU - Verstraete, Matthieu J.
AU - Gonze, Xavier
PY - 2006
Y1 - 2006
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=33750009125&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.74.153408
DO - 10.1103/PhysRevB.74.153408
M3 - Article
AN - SCOPUS:33750009125
SN - 1098-0121
VL - 74
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 15
M1 - 153408
ER -