Structural and electronic properties of transition-metal chalcogenides Mo5S4 nanowires |
(a) Phonon dispersion relation for the three types of Mo5S4 nanowires. Reaction coordinates for structural change (b) between the edge and the C&E structures, (c) between the cap and the C&E structures of Mo5S5 nanowires. The main structural change is due to the rotation of Mo-square as schematized in inset of (b) and (c). |