First-principles calculation of hot-electron scattering in metals

Abstract

We analyze hot-electron scatterings in metals within a first-principles approach based on density-functional-theory band-structure calculations and on Green-function calculations within the $GW$ approximation. Results for hot-electron lifetimes and the differential cross section of the underlying scattering process are presented for Al, Cu, Au, and Pd, and analyzed with emphasis on the differences and similarities with respect to the predictions of the homogeneous electron-gas model. The electron-gas results can nicely explain the scattering characteristics in aluminium, whereas in copper and gold a strong enhancement of the hot-electron lifetimes is found and attributed to $d$-band screening. Finally, in palladium $d$-band scatterings are responsible for a drastic modification of the scattering characteristics, which no longer can be explained by the homogeneous electron-gas results.