Nucleation of Pb starfish clusters on the five-fold Al-Pd-Mn quasicrystal surface

TitleNucleation of Pb starfish clusters on the five-fold Al-Pd-Mn quasicrystal surface
Publication TypeJournal Article
Year of Publication2009
AuthorsLedieu J, Krajci M, Hafner J, Leung L, Wearing LH, McGrath R, Lograsso TA, Wu D, Fournee V
Journal TitlePhysical Review B
Volume79
Pages165430
Date Published04/01
ISBN Number1098-0121
Accession NumberISI:000265945200108
Keywordsab initio calculations, adsorption, alpdmn icosahedral phase, augmented-wave method, density functional theory, electronic-structure, lead, metal clusters, nucleation, quasicrystals, scanning tunnelling microscopy, total energy, total-energy calculations
Abstract

The nucleation of Pb clusters on the five-fold Al-Pd-Mn quasicrystal surface has been investigated using scanning tunneling microscopy (STM) and ab initio calculations based on density-functional theory (DFT). In the submonolayer regime, Pb atoms are highly mobile and adsorb preferentially within equatorially truncated pseudo-Mackay clusters present at the surface. The decoration of these unique adsorption sites leads to the formation of five-fold islands dubbed "starfish" and eventually to a quasiperiodic Pb monolayer. From a comparison of measured and calculated STM images it is concluded that most starfish clusters on all terraces are composed of ten Pb adatoms. A model of the structure of the starfish cluster has been proposed. Our total-energy calculations confirm its stability. The experimentally measured height profile of the starfish cluster is also reproduced by the DFT calculations.

URL<Go to ISI>://000265945200108
DOI10.1103/Physrevb.79.165430