First Principles Calculation of Localized Surface Phonons and Electron-Phonon Interaction at Pb(111) Thin Films

摘要

A first principles calculation of the vibrational modes of Pb(111) thin films of thickness up to 14 layers reveals the existence of localized vibrational modes at the slab's surface. Both longitudinal and transverse surface modes localized a few atomic layers are found at energies above the bulk bands. The frequency of these modes presents a bilayer oscillatory behavior. The electron-phonon interaction of the slab's quantum well states is also calculated. We find a large (small) deformation potential for the lowest unoccupied (highest occupied) quantum well state. Its absolute value is also oscillatory with the number of layers.