TY - JOUR
T1 - Impact of local atomic stress on oxygen segregation at tilt boundaries in silicon
AU - Ohno, Yutaka
AU - Inoue, Kaihei
AU - Fujiwara, Kozo
AU - Kutsukake, Kentaro
AU - Deura, Momoko
AU - Yonenaga, Ichiro
AU - Ebisawa, Naoki
AU - Shimizu, Yasuo
AU - Inoue, Koji
AU - Nagai, Yasuyoshi
AU - Yoshida, Hideto
AU - Takeda, Seiji
AU - Tanaka, Shingo
AU - Kohyama, Masanori
N1 - Publisher Copyright:
© 2017 Author(s).
PY - 2017/2/6
Y1 - 2017/2/6
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85012074009&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85012074009&partnerID=8YFLogxK
U2 - 10.1063/1.4975814
DO - 10.1063/1.4975814
M3 - Article
AN - SCOPUS:85012074009
VL - 110
JO - Applied Physics Letters
JF - Applied Physics Letters
SN - 0003-6951
IS - 6
M1 - 062105
ER -