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ファセット化したΣ3CSL粒界原子構造のHRTEM観察と第一原理電子状態計算に基づく解析

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J. Jap. Inst. Met. Mater. V. 72(11) 886.pdf773.13 kBPDFView/Open
Please use this identifier to cite or link to this item:http://hdl.handle.net/2115/76945

Title: ファセット化したΣ3CSL粒界原子構造のHRTEM観察と第一原理電子状態計算に基づく解析
Other Titles: Atomic Structure of Faceted Σ3 CSL Grain Boundary in Silicon: HRTEM and Ab-Initio Calculation
Authors: 坂口, 紀史1 Browse this author →KAKEN DB
渡辺, 精一2 Browse this author →KAKEN DB
市野瀬, 英喜3 Browse this author
Authors(alt): Sakaguchi, Norihito1
Watanabe, Seiichi2
Ichinose, Hideki3
Keywords: coincidence site lattice (CSL) grain boundary
atomic structure
electronic structure
high-resolution electron microscopy
ab-initio calculation
Issue Date: Nov-2008
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
Volume: 72
Issue: 11
Start Page: 886
End Page: 891
Publisher DOI: 10.2320/jinstmet.72.886
Abstract: {112} Σ3 CSL grain boundary in silicon was investigated by high-resolution transmission electron microscopy (HRTEM) and ab-initio calculation. 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 and the other long segment, which was the distant and away from the corner, showed asymmetric structure. It was shown that the asymmetric structure is more stable than the symmetric one. In the symmetric segment a 5-fold coordinated atom presented, which elevated the structure energy of the boundary and produced a new state in the band gap.
Type: article
URI: http://hdl.handle.net/2115/76945
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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