Quantum size effects in Pb islands on Cu(111): Electronic-structure calculations

E. Ogando, N. Zabala, E.V. Chulkov, M.J. Puska

Research output: Contribution to journalArticleScientificpeer-review

39 Citations (Scopus)
114 Downloads (Pure)

Abstract

The appearance of “magic” heights of Pb islands grown on Cu(111) is studied by self-consistent electronic structure calculations. The Cu(111) substrate is modeled with a one-dimensional pseudopotential reproducing the essential features, i.e., the band gap and the work function, of the Cu band structure in the [111] direction. Pb islands are presented as stabilized jellium overlayers. The experimental eigenenergies of the quantum-well states confined in the Pb overlayer are well reproduced. The total energy oscillates as a continuous function of the overlayer thickness reflecting the electronic shell structure. The energies for completed Pb monolayers show a modulated oscillatory pattern reminiscent of the supershell structure of clusters and nanowires. The energy minima correlate remarkably well with the measured most probable heights of Pb islands. The proper modeling of the substrate is crucial to set the quantitative agreement.
Original languageEnglish
Article number153410
Pages (from-to)1-4
Number of pages4
JournalPhysical Review B
Volume69
Issue number15
DOIs
Publication statusPublished - 23 Apr 2004
MoE publication typeA1 Journal article-refereed

Keywords

  • electronic-structure calculation
  • nanophysics
  • quantum confinement
  • surface growth

Fingerprint Dive into the research topics of 'Quantum size effects in Pb islands on Cu(111): Electronic-structure calculations'. Together they form a unique fingerprint.

Cite this