You are here

Submonolayer Ag films on Fe(100): A first-principles analysis of energetics controlling adlayer thermodynamics and kinetics

TitleSubmonolayer Ag films on Fe(100): A first-principles analysis of energetics controlling adlayer thermodynamics and kinetics
Publication TypeJournal Article
Year of Publication2016
AuthorsLi, W, Huang, L, Evans, JW, Han, Y
JournalPhysical Review B
Volume93
Pagination155416
Date Published04
Type of ArticleArticle
ISBN Number2469-9950
Accession NumberWOS:000373760500010
Keywordsag(100) thin-films, augmented-wave method, energy, growth, initio molecular-dynamics, lattice-constants, metal-surfaces, nanoclusters, physics, quantum-well states, simulation
Abstract

near and bent trio interactions, dominate. The adatom terrace diffusion barrier is estimated to be E-d approximate to 0.39 eV. We also provide a limited analysis of unconventional interactions for which one adatom is at the bridge-site transition state for hopping and one or more others are at fourfold hollow sites. Energy barriers for diffusion along island edges can be determined with the aid of both conventional and unconventional interactions.

DOI10.1103/PhysRevB.93.155416
Custom 1

Not AL

Alternate JournalPhys. Rev. B