Localization and hybridization of electronic states in thin films of Ag on V(100)

TL;DR

This study uses ab initio calculations to analyze how electronic states in thin Ag films on V(100) hybridize and localize, affecting their spectral properties observed in ARPES experiments.

Contribution

It reveals the importance of hybridization between Ag quantum well states and V orbitals in determining electronic properties, a factor previously underappreciated.

Findings

Quantum well states are formed in Ag films due to lattice mismatch.

Hybridization significantly influences the energies and dispersion of photoemission peaks.

Both sp and d character states are involved in the quantum well formation.

Abstract

We have studied the electronic states in 1-5 layers thick Ag films on V(100), by means of ab initio density functional calculations. Due to the mismatch of the electronic structure of Ag and V, quantum well states of both sp and d character localized on Ag films are formed. We find that the hybridization of the Ag quantum well states with the V orbitals is nevertheless important, and must be taken into account in order to fully understand the observed properties, in particular the energies and the dispersion of the photoemission peaks in ARPES experiments.