The Structure of Ultrathin Ag Films on Pd(111)

TL;DR

This study uses ab initio density functional calculations to analyze the structural and electronic properties of ultrathin silver films on Pd(111), revealing potential for localized states and quantum well formations.

Contribution

It provides detailed insights into the structural and electronic characteristics of Ag films on Pd(111), highlighting the formation of localized states and quantum well states at specific energies.

Findings

Presence of a band gap in the electronic density of states.

Formation of localized states in the silver films.

Quantum well states around 4 eV binding energy.

Abstract

We have performed ab initio density functional calculations of thin Ag films on the Pd(111) surface. We have calculated the structural properties and the electronic bands of the Ag/Pd systems. There is a band gap in the electronic density of states around the centre of the two-dimensional Brillouin zone of the Pd(111) surface, which makes possible the formation of localised states in the adsorbed silver films. We find that quantum well states may form at binding energies around 4 eV.