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Title: Evolution of a Symmetry Gap and Synergetic Quantum Well States in Ultrathin Ag Films on Au(111) Substrates.

Abstract

Using first-principles calculations within density functional theory, we carry out a comprehensive study of how a symmetry gap around the Fermi level develops towards its bulk value as the thickness of Ag films grown on a Au(111) substrate increases. We show that, contrary to prevailing assumptions, the symmetry gap in ultrathin Ag films can be substantially wider than the gap of the Au substrate along the [111] direction. As a result, the first and second quantum well states (QWS) are confined within the Ag films only when the film thickness reaches about 10 and 19 monolayers, respectively. We further show that, when ultrathin Au films are grown on Ag(111) slabs of comparable thicknesses, synergetic QWS spanning across the whole (Au + Ag) systems are established. These results are discussed in comparison with high-resolution photoemission measurements.

Authors:
 [1];  [2];  [3];  [3];  [3];  [3];  [4]
  1. Georgia Institute of Technology
  2. Fudan University, China
  3. Universitat Wurzburg, Germany
  4. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
931734
DOE Contract Number:
DE-AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: European Physics Letters; Journal Volume: 78; Journal Issue: 5
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; FERMI LEVEL; DENSITY FUNCTIONAL METHOD; PHOTOEMISSION; QUANTUM WELLS; SUBSTRATES; SYMMETRY; THICKNESS; THIN FILMS; SILVER; GOLD

Citation Formats

Huang, Li, Gong, Xingao, Gergert, E., Forster, F., Bendounan, A., Reinert, F., and Zhang, Zhenyu. Evolution of a Symmetry Gap and Synergetic Quantum Well States in Ultrathin Ag Films on Au(111) Substrates.. United States: N. p., 2007. Web. doi:10.1209/0295-5075/78/57003.
Huang, Li, Gong, Xingao, Gergert, E., Forster, F., Bendounan, A., Reinert, F., & Zhang, Zhenyu. Evolution of a Symmetry Gap and Synergetic Quantum Well States in Ultrathin Ag Films on Au(111) Substrates.. United States. doi:10.1209/0295-5075/78/57003.
Huang, Li, Gong, Xingao, Gergert, E., Forster, F., Bendounan, A., Reinert, F., and Zhang, Zhenyu. Mon . "Evolution of a Symmetry Gap and Synergetic Quantum Well States in Ultrathin Ag Films on Au(111) Substrates.". United States. doi:10.1209/0295-5075/78/57003.
@article{osti_931734,
title = {Evolution of a Symmetry Gap and Synergetic Quantum Well States in Ultrathin Ag Films on Au(111) Substrates.},
author = {Huang, Li and Gong, Xingao and Gergert, E. and Forster, F. and Bendounan, A. and Reinert, F. and Zhang, Zhenyu},
abstractNote = {Using first-principles calculations within density functional theory, we carry out a comprehensive study of how a symmetry gap around the Fermi level develops towards its bulk value as the thickness of Ag films grown on a Au(111) substrate increases. We show that, contrary to prevailing assumptions, the symmetry gap in ultrathin Ag films can be substantially wider than the gap of the Au substrate along the [111] direction. As a result, the first and second quantum well states (QWS) are confined within the Ag films only when the film thickness reaches about 10 and 19 monolayers, respectively. We further show that, when ultrathin Au films are grown on Ag(111) slabs of comparable thicknesses, synergetic QWS spanning across the whole (Au + Ag) systems are established. These results are discussed in comparison with high-resolution photoemission measurements.},
doi = {10.1209/0295-5075/78/57003},
journal = {European Physics Letters},
number = 5,
volume = 78,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}