Impact of local atomic stress on oxygen segregation at tilt boundaries in silicon

Yutaka Ohno, Kaihei Inoue, Kozo Fujiwara, Kentaro Kutsukake, Momoko Deura, Ichiro Yonenaga, Naoki Ebisawa, Yasuo Shimizu, Koji Inoue, Yasuyoshi Nagai, Hideto Yoshida, Seiji Takeda, Shingo Tanaka, Masanori Kohyama

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16 Citations (Scopus)


Using the atom probe tomography, transmission electron microscopy, and ab initio calculations, we investigate the three-dimensional distributions of oxygen atoms segregating at the typical large-angle grain boundaries (GBs) ( Σ 3 { 111 } , Σ 9 { 221 } , Σ 9 { 114 } , Σ 9 { 111 } / { 115 }, and Σ 27 { 552 }) in Czochralski-grown silicon ingots. Oxygen atoms with a covalent radius that is larger than half of the silicon's radius would segregate at bond-centered positions under tensile stresses above about 2 GPa, so as to attain a more stable bonding network by reducing the local stresses. The number of oxygen atoms segregating in a unit GB area N GB (in atoms/nm2) is hypothesized to be proportional to both the number of the tensilely-stressed positions in a unit boundary area n bc and the average concentration of oxygen atoms around the boundary [ O i] (in at. %) with N GB ∼ 50 n bc [ O i ]. This indicates that the probability of oxygen atoms at the segregation positions would be, on average, fifty times larger than in bond-centered positions in defect-free regions.

Original languageEnglish
Article number062105
JournalApplied Physics Letters
Issue number6
Publication statusPublished - 2017 Feb 6

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)


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