ABSTRACTFirst-principles calculations of the inelastic lifetime of low-energy electrons in Al. Cu and Au are reported. Quasiparticle damping rates are evaluated from the knowledge of the electron self-energy, which we compute within the GW approximation. Inelastic lifetimes are then obtained along various directions of the electron wave vector, with full inclusion of the band structure of the solid. Average lifetimes are also reported, as a function of the electron energy. In Al splitting of the band structure over the Fermi level yields electron lifetimes that are smaller than those of electrons in a free-electron gas. In Cu and Au, a major contribution from d electrons participating in the screening of electron-electron interactions yields electron lifetimes which are well above those of electrons in a free-electron gas with the electron density equal to that of valence (4s1 and 6s1 respectively) electrons.
First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate