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Title: Strong Quantum Size Effects in Pb(111) Thin Films Mediated by Anomalous Friedel Oscillations

Abstract

Using first-principles calculations within density functional theory, we study Friedel oscillations (FOs) in the electron density at different metal surfaces and their influence on the lattice relaxation and stability of ultrathin metal films.We show that the FOs at the Pb(111) surface decay as 1=x with the distance x from the surface, different from the conventional 1=x2 power law at other metal surfaces. The underlying physical reason for this striking difference is tied to the strong nesting of the two different Fermi sheets along the Pb(111) direction. The interference of the strong FOs emanating from the two surfaces of a Pb(111) film, in turn, not only results in superoscillatory interlayer relaxations around the center of the film, but also determines its stability in the quantum regime. As a simple and generic picture, the present findings also explain why quantum size effects are exceptionally robust in Pb(111) films.

Authors:
 [1];  [2];  [3];  [1];  [4];  [1]
  1. ORNL
  2. Peking University
  3. Zhengzhou University, China
  4. University of Tennessee, Knoxville (UTK)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
984794
DOE Contract Number:  
DE-AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 105; Journal Issue: 6; Journal ID: ISSN 0031-9007
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; DECAY; ELECTRON DENSITY; FUNCTIONALS; OSCILLATIONS; RELAXATION; STABILITY; THIN FILMS

Citation Formats

Jia, Yu, Wu, Biao, Li, Chong, Eguiluz, Adolfo G, Weitering, Hanno, and Zhang, Zhenyu. Strong Quantum Size Effects in Pb(111) Thin Films Mediated by Anomalous Friedel Oscillations. United States: N. p., 2010. Web. doi:10.1103/PhysRevLett.105.066101.
Jia, Yu, Wu, Biao, Li, Chong, Eguiluz, Adolfo G, Weitering, Hanno, & Zhang, Zhenyu. Strong Quantum Size Effects in Pb(111) Thin Films Mediated by Anomalous Friedel Oscillations. United States. doi:10.1103/PhysRevLett.105.066101.
Jia, Yu, Wu, Biao, Li, Chong, Eguiluz, Adolfo G, Weitering, Hanno, and Zhang, Zhenyu. Fri . "Strong Quantum Size Effects in Pb(111) Thin Films Mediated by Anomalous Friedel Oscillations". United States. doi:10.1103/PhysRevLett.105.066101.
@article{osti_984794,
title = {Strong Quantum Size Effects in Pb(111) Thin Films Mediated by Anomalous Friedel Oscillations},
author = {Jia, Yu and Wu, Biao and Li, Chong and Eguiluz, Adolfo G and Weitering, Hanno and Zhang, Zhenyu},
abstractNote = {Using first-principles calculations within density functional theory, we study Friedel oscillations (FOs) in the electron density at different metal surfaces and their influence on the lattice relaxation and stability of ultrathin metal films.We show that the FOs at the Pb(111) surface decay as 1=x with the distance x from the surface, different from the conventional 1=x2 power law at other metal surfaces. The underlying physical reason for this striking difference is tied to the strong nesting of the two different Fermi sheets along the Pb(111) direction. The interference of the strong FOs emanating from the two surfaces of a Pb(111) film, in turn, not only results in superoscillatory interlayer relaxations around the center of the film, but also determines its stability in the quantum regime. As a simple and generic picture, the present findings also explain why quantum size effects are exceptionally robust in Pb(111) films.},
doi = {10.1103/PhysRevLett.105.066101},
journal = {Physical Review Letters},
issn = {0031-9007},
number = 6,
volume = 105,
place = {United States},
year = {2010},
month = {1}
}