2024-03-29T13:05:32Zhttps://eprints.lib.hokudai.ac.jp/dspace-oai/requestoai:eprints.lib.hokudai.ac.jp:2115/769442022-11-17T02:08:08Zhdl_2115_20045hdl_2115_139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Analysis of Atomic and Electronic Structures on CSL Boundary in Silicon1000070344489坂口, 紀史Sakaguchi, Norihitoopen accesscoincidence site lattice (CSL) boundarygap statehigh-resolution electron microscopyelectron energy-loss spectroscopyab initio calculations560Σ3 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.日本金属学会2014-01jpnjournal articleVoRhttp://hdl.handle.net/2115/76944https://doi.org/10.2320/jinstmet.J20130430021-48761880-6880AN00062446日本金属学会誌Journal of the Japan Institute of Metals and Materials78116https://eprints.lib.hokudai.ac.jp/dspace/bitstream/2115/76944/1/J.%20Jap.%20Inst.%20Met.%20Mater.%20V.%2078%281%29%201-6.pdfapplication/pdf2.43 MB2014-01