Self-consistent study of electron confinement to metallic thin films on solid surfaces

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2005
Major/Subject
Mcode
Degree programme
Language
en
Pages
205401/1-10
Series
Physical Review B, Volume 71, Issue 20
Abstract
We present a method for density-functional modeling of metallic overlayers grown on a support. It offers a useful tool to study nanostructures, combining the power of self-consistent pseudopotential calculations with the simplicity of a one-dimensional approach. The model is illustrated for Pb layers grown on the Cu(111) surface. The analysis provides the strength of the electron confinement barriers in thin slabs with accuracy, supporting the interpretation of the quantum well state spectra measured by scanning tunneling spectroscopy. On the other hand, it offers a benchmark to check the simple analytical models commonly used in the literature to study metallic films on semiconducting or metallic surfaces. As a result, some deficiencies are detected in the applicability of those models, which often lead to an overestimation of the number of wetting layers. Finally, an improved formula is proposed.
Description
Keywords
electron confinement, quantum well states, scanning tunneling spectroscopy
Other note
Citation
Ogando, E. & Zabala, N. & Chulkov, E. V. & Puska, Martti J. 2005. Self-consistent study of electron confinement to metallic thin films on solid surfaces. Physical Review B. Volume 71, Issue 20. 205401/1-10. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.71.205401.