Rietveld Analysis and Maximum Entropy Method of Powder Diffraction for Bundles of Single-Walled Carbon Nanotubes

DOI10.1143/JPSJ.74.2990MaRDI QIDQ3371820zbMATH OpenOpenAlexFDO

Authors Hiroaki Kadowaki, Akihito Nishiyama, Kazuyuki Matsuda, Yutaka Maniwa, Shinzo Suzuki, Yohji Achiba, Hiromichi Kataura

Publication date 21 February 2006

Published in Journal of the Physical Society of Japan (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/cond-mat/0409603

zbMATH Keywords

maximum entropycarbon nanotubeneutron diffractionRietveld analysis

Mathematics Subject Classification ID

Molecular physics (81V55) Applications of statistical mechanics to specific types of physical systems (82D99)

Abstract: The structure of bundles of single-walled carbon nanotubes (SWNT) has been refined by Rietveld analysis using neutron and X-ray powder diffraction data. Based on previous simulation studies of powder diffraction data of SWNT and standard Rietveld analyses, we have developed a pattern fit technique for SWNT which provides precise structure parameters. We also show that the present technique can be used with the maximum entropy method (MEM), which is complementary to the Rietveld analysis. Using the neutron diffraction data of pristine SWNT, we have successfully reconstructed the density of carbon nuclei and zero density in the inner cavity of SWNT by MEM.

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