Oscillatory energetics of flat Ag films on MgO(001)

Abstract

The energetics and electronic structures of flat Ag films on the MgO(001) substrate are studied by first-principles density-functional calculations. An oscillatory variation of the film energetics showing the existence of multiple magic thicknesses for smootli growth is found. This oscillatory behavior correlates well with the quantum-well stales, which themselves vary with the film thickness. The results demonstrate the importance of the confined motion of the conduction electrons in stabilizing epitaxial metal films, as emphasized in a recent ''electronic growth" model.