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Estimating the dopant distribution in Ca-doped alpha-SiAlON: statistical HAADF-STEM analysis and large-scale atomic modeling

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Title: Estimating the dopant distribution in Ca-doped alpha-SiAlON: statistical HAADF-STEM analysis and large-scale atomic modeling
Authors: Sakaguchi, Norihito Browse this author →KAKEN DB
Yamaki, Fuuta Browse this author
Saito, Genki Browse this author →KAKEN DB
Kunisada, Yuji Browse this author →KAKEN DB
Keywords: alpha-SiAlON
HAADF-STEM
multi-slice simulation
electron channeling
Monte Carlo simulation
dopant distribution
Issue Date: Oct-2016
Publisher: Oxford University Press
Journal Title: Microscopy
Volume: 65
Issue: 5
Start Page: 400
End Page: 406
Publisher DOI: 10.1093/jmicro/dfw020
PMID: 27334599
Abstract: We investigated the dopant distribution in Ca-doped alpha-SiAlON by using high-angle annular dark-field scanning transmission electron microscopy and a multi-slice image simulation. Our results showed that the electron wave propagated by hopping to adjacent Si(Al) and N(O) columns. The image intensities of the Ca columns had wider dispersions than other columns. To estimate the Ca distribution in the bulk material, we performed a Monte Carlo atomic simulation of the alpha-SiAlON with Ca dopants. A model including a short-range Coulomb-like repulsive force between adjacent Ca atoms reproduced the dispersion of the intensity distribution of the Ca column in the experimental image.
Rights: This is a pre-copyedited, author-produced version of an article accepted for publication in Microscopy following peer review. The version of record Microscopy (2016) 65(5): 400-406. is available online at: http://dx.doi.org/10.1093/jmicro/dfw020.
Type: article (author version)
URI: http://hdl.handle.net/2115/67213
Appears in Collections:エネルギー・マテリアル融合領域研究センター (Center for Advanced Research of Energy and Material) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 坂口 紀史

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