TY - JOUR
T1 - Effect of boundary plane on the atomic structure of [0001] ∑ 7 tilt grain boundaries in ZnO
AU - Oba, F.
AU - Sato, Y.
AU - Yamamoto, T.
AU - Ohta, H.
AU - Hosono, H.
AU - Ikuhara, Y.
N1 - Funding Information:
We thank Dr. J. D. Gale for allowing us to use the GULP program code. This study was supported by a Grant-in-Aid for Scientific Research from the Ministry of Education, Culture, Sports, Science and Technology of Japan, and the Japan Society for the Promotion of Science.
PY - 2005/6
Y1 - 2005/6
N2 - The atomic structure of [0001] ∑ 7 tilt grain boundaries with {123̄0}∥{123̄0}, {145̄0}∥{145̄0} and {101̄0}∥{358̄0} boundary planes in ZnO was investigated through high-resolution transmission electron microscopy observation of fiber-textured thin films and atomistic calculations. These boundaries were found to comprise three kinds of common structural units that are characterized by fourfold- to eightfold-coordinated channels along the [0001] direction in contrast to sixfold-coordinated channels in wurtzite structure. The boundary structural units are very similar to the multiple core structures of edge dislocations with Burgers vectors of 1/3 <112̄0> . Transformation between two of the three configurations can easily occur through an atom flipping corresponding to dislocation glide. Depending on the orientation of boundary planes with respect to the Burgers vectors, the dislocation-like units exhibit straight or zigzag arrangements with periodicities corresponding to the ∑ 7 misorientation.
AB - The atomic structure of [0001] ∑ 7 tilt grain boundaries with {123̄0}∥{123̄0}, {145̄0}∥{145̄0} and {101̄0}∥{358̄0} boundary planes in ZnO was investigated through high-resolution transmission electron microscopy observation of fiber-textured thin films and atomistic calculations. These boundaries were found to comprise three kinds of common structural units that are characterized by fourfold- to eightfold-coordinated channels along the [0001] direction in contrast to sixfold-coordinated channels in wurtzite structure. The boundary structural units are very similar to the multiple core structures of edge dislocations with Burgers vectors of 1/3 <112̄0> . Transformation between two of the three configurations can easily occur through an atom flipping corresponding to dislocation glide. Depending on the orientation of boundary planes with respect to the Burgers vectors, the dislocation-like units exhibit straight or zigzag arrangements with periodicities corresponding to the ∑ 7 misorientation.
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U2 - 10.1007/s10853-005-2666-4
DO - 10.1007/s10853-005-2666-4
M3 - Article
AN - SCOPUS:20544449739
VL - 40
SP - 3067
EP - 3074
JO - Journal of Materials Science
JF - Journal of Materials Science
SN - 0022-2461
IS - 12
ER -