2024-03-28T15:26:31Zhttps://eprints.lib.hokudai.ac.jp/dspace-oai/requestoai:eprints.lib.hokudai.ac.jp:2115/672132022-11-17T02:08:08Zhdl_2115_20071hdl_2115_183Estimating the dopant distribution in Ca-doped alpha-SiAlON: statistical HAADF-STEM analysis and large-scale atomic modelingSakaguchi, NorihitoYamaki, FuutaSaito, GenkiKunisada, Yujialpha-SiAlONHAADF-STEMmulti-slice simulationelectron channelingMonte Carlo simulationdopant distribution549We 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.Oxford University PressJournal Articleapplication/pdfhttp://hdl.handle.net/2115/67213https://eprints.lib.hokudai.ac.jp/dspace/bitstream/2115/67213/1/JEM-HAADF-CaSiAlON_HUSCAP.pdf2050-5701Microscopy6554004062016-10enginfo:pmid/27334599info:doi/10.1093/jmicro/dfw020This 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.author