skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Theory of low-energy electron diffraction for detailed structural determination of nanomaterials: Ordered structures

Abstract

To enable the determination of detailed structures of nanomaterials, we extend the theory of low-energy electron diffraction (LEED) to become more efficient for complex and disordered systems. Our new cluster approach speeds up the computation to scale as n log n, rather than the current n{sup 3} or n{sup 2}, with n the number of atoms, for example, making nanostructures accessible. Experimental methods to measure LEED data already exist or have been proposed. Potential application to ordered nanoparticles are illustrated here for C{sub 60} molecules adsorbed on a Cu(111) surface, with and without coadsorbed metal atoms, as well as for adsorbed carbon nanotubes. These demonstrate sensitivity to important structural features such as size and deformation of the nanostructures.

Authors:
; ;  [1];  [1];  [2];  [3];  [4]
  1. Department of Physics and Materials Science, City University of Hong Kong, Hong Kong (China)
  2. (China)
  3. Department of Electrical Engineering, University of Washington, Seattle, Washington 98195 (United States)
  4. Department of Electronic Engineering, City University of Hong Kong, Hong Kong (China)
Publication Date:
OSTI Identifier:
20976635
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics; Journal Volume: 75; Journal Issue: 1; Other Information: DOI: 10.1103/PhysRevB.75.014114; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ATOMS; CALCULATION METHODS; COPPER; DEFORMATION; ELECTRON DIFFRACTION; FULLERENES; LAYERS; MOLECULES; NANOTUBES; PARTICLES; SURFACES

Citation Formats

Gavaza, G. M., Tong, S. Y., Van Hove, M. A., Yu, Z. X., Department of Physics, Zhongshan University, Guangzhou, Tsang, L., and Chan, C. H.. Theory of low-energy electron diffraction for detailed structural determination of nanomaterials: Ordered structures. United States: N. p., 2007. Web. doi:10.1103/PHYSREVB.75.014114.
Gavaza, G. M., Tong, S. Y., Van Hove, M. A., Yu, Z. X., Department of Physics, Zhongshan University, Guangzhou, Tsang, L., & Chan, C. H.. Theory of low-energy electron diffraction for detailed structural determination of nanomaterials: Ordered structures. United States. doi:10.1103/PHYSREVB.75.014114.
Gavaza, G. M., Tong, S. Y., Van Hove, M. A., Yu, Z. X., Department of Physics, Zhongshan University, Guangzhou, Tsang, L., and Chan, C. H.. Mon . "Theory of low-energy electron diffraction for detailed structural determination of nanomaterials: Ordered structures". United States. doi:10.1103/PHYSREVB.75.014114.
@article{osti_20976635,
title = {Theory of low-energy electron diffraction for detailed structural determination of nanomaterials: Ordered structures},
author = {Gavaza, G. M. and Tong, S. Y. and Van Hove, M. A. and Yu, Z. X. and Department of Physics, Zhongshan University, Guangzhou and Tsang, L. and Chan, C. H.},
abstractNote = {To enable the determination of detailed structures of nanomaterials, we extend the theory of low-energy electron diffraction (LEED) to become more efficient for complex and disordered systems. Our new cluster approach speeds up the computation to scale as n log n, rather than the current n{sup 3} or n{sup 2}, with n the number of atoms, for example, making nanostructures accessible. Experimental methods to measure LEED data already exist or have been proposed. Potential application to ordered nanoparticles are illustrated here for C{sub 60} molecules adsorbed on a Cu(111) surface, with and without coadsorbed metal atoms, as well as for adsorbed carbon nanotubes. These demonstrate sensitivity to important structural features such as size and deformation of the nanostructures.},
doi = {10.1103/PHYSREVB.75.014114},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 1,
volume = 75,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}