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J. Jap. Inst. Met. Mater. V. 78(1) 1-6.pdf2.49 MBPDFView/Open
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Title: シリコン対応粒界における原子構造評価と電子状態予測
Other Titles: Analysis of Atomic and Electronic Structures on CSL Boundary in Silicon
Authors: 坂口, 紀史1 Browse this author →KAKEN DB
Authors(alt): Sakaguchi, Norihito1
Keywords: coincidence site lattice (CSL) boundary
gap state
high-resolution electron microscopy
electron energy-loss spectroscopy
ab initio calculations
Issue Date: Jan-2014
Publisher: 日本金属学会
Journal Title: 日本金属学会誌
Journal Title(alt): Journal of the Japan Institute of Metals and Materials
Volume: 78
Issue: 1
Start Page: 1
End Page: 6
Publisher DOI: 10.2320/jinstmet.J2013043
Abstract: Σ3 CSL grain boundaries in poly-crystalline silicon were investigated by high-resolution transmission electron microscopy (HRTEM), electron energy-loss spectroscopy (EELS) and ab initio calculations. A {112} Σ3 CSL boundary consisted of two segments which differed in atomic structure. The segment near the corner and connected to {111} Σ3 CSL boundary showed symmetric structure while the other long segment, which was the distant one and away from the corner, showed asymmetric structure. Ab initio calculations revealed that the asymmetric structure is more stable than the symmetric one. A pronounced pre-edge shoulder was detected only in Si-L23 electron energy-loss near-edge structure (ELNES) acquired from the symmetric segment of the {112} and {111}Σ3 CSL boundaries. It was indicated that the shoulder in the ELNES acquired from the CSL junction resulted from the formation of the deep gap state originated by the 5-fold-coordinated silicon atom.
Type: article
Appears in Collections:工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 坂口 紀史

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