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Title: The nanodiffraction problem

Abstract

The results of a systematic rigorous study on the accuracy of lattice parameters computed from X-ray diffraction patterns of ideally perfect nanocrystalline powder and thin-film samples are presented. It is shown that, if the dimensions of such samples are below 20 nm, the lattice parameters obtained from diffraction analysis will deviate from their true values. The relative deviation depends on the relevant size parameter through an inverse power law and, for particular reflections, depends on the angular peak positions. This size-dependent error, Δa/a, is larger than the precision of typical X-ray diffraction measurements for ∼20 nm-thick diffracting domains, and it can be several orders of magnitude larger for particles smaller than 5 nm.

Authors:
 [1];  [2];  [1];  [3];  [1]
  1. Columbia Univ., New York, NY (United States). Applied Physics and Applied Mathematics
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II
  3. Columbia Univ., New York, NY (United States). Applied Physics and Applied Mathematics; Simon Fraser Univ., Burnaby, BC (Canada). Dept. of Physics
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1565695
DOE Contract Number:  
AC02-98CH10886; SC0012704
Resource Type:
Journal Article
Journal Name:
Journal of Applied Crystallography (Online)
Additional Journal Information:
Journal Volume: 51; Journal Issue: 4; Journal ID: ISSN 1600-5767
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Crystallography

Citation Formats

Xiong, Shangmin, Öztürk, Hande, Lee, Seung-Yub, Mooney, Patricia M., and Noyan, Ismail Cevdet. The nanodiffraction problem. United States: N. p., 2018. Web. doi:10.1107/s1600576718007719.
Xiong, Shangmin, Öztürk, Hande, Lee, Seung-Yub, Mooney, Patricia M., & Noyan, Ismail Cevdet. The nanodiffraction problem. United States. doi:10.1107/s1600576718007719.
Xiong, Shangmin, Öztürk, Hande, Lee, Seung-Yub, Mooney, Patricia M., and Noyan, Ismail Cevdet. Fri . "The nanodiffraction problem". United States. doi:10.1107/s1600576718007719.
@article{osti_1565695,
title = {The nanodiffraction problem},
author = {Xiong, Shangmin and Öztürk, Hande and Lee, Seung-Yub and Mooney, Patricia M. and Noyan, Ismail Cevdet},
abstractNote = {The results of a systematic rigorous study on the accuracy of lattice parameters computed from X-ray diffraction patterns of ideally perfect nanocrystalline powder and thin-film samples are presented. It is shown that, if the dimensions of such samples are below 20 nm, the lattice parameters obtained from diffraction analysis will deviate from their true values. The relative deviation depends on the relevant size parameter through an inverse power law and, for particular reflections, depends on the angular peak positions. This size-dependent error, Δa/a, is larger than the precision of typical X-ray diffraction measurements for ∼20 nm-thick diffracting domains, and it can be several orders of magnitude larger for particles smaller than 5 nm.},
doi = {10.1107/s1600576718007719},
journal = {Journal of Applied Crystallography (Online)},
issn = {1600-5767},
number = 4,
volume = 51,
place = {United States},
year = {2018},
month = {7}
}

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