TY - JOUR
T1 - Grain boundary plane effect on Pr segregation site in ZnO Σ13 [0001] symmetric tilt grain boundaries
AU - Roh, Ji Young
AU - Sato, Yukio
AU - Ikuhara, Yuichi
N1 - Publisher Copyright:
© 2015 The American Ceramic Society.
PY - 2015/6/1
Y1 - 2015/6/1
N2 - As grain boundary (GB) and GB segregation often have significant impact on various properties of polycrystalline materials, their atomic structures as well as the location of segregated dopant should be intensively investigated. We have thus reported several papers about segregation of Pr (praseodymium) in ZnO (zinc oxide) GBs for case study. In this study, we study the atomic structure of Pr-doped ZnO [0001]/(134¯0) Σ13 symmetric tilt GB, and the results are compared with that for the (257¯0) GB [Sato et al., Phys. Rev. B, 87,140101 (2013)]. Although atomic arrangements of these GBs can be characterized using the same kinds of structural units (SUs), Pr segregation sites relative to the SU vary with GBs. It is suggested that change in strain distribution for different GBs would cause the variation in the segregation sites and Pr would prefer the Zn site of locally highest tension.
AB - As grain boundary (GB) and GB segregation often have significant impact on various properties of polycrystalline materials, their atomic structures as well as the location of segregated dopant should be intensively investigated. We have thus reported several papers about segregation of Pr (praseodymium) in ZnO (zinc oxide) GBs for case study. In this study, we study the atomic structure of Pr-doped ZnO [0001]/(134¯0) Σ13 symmetric tilt GB, and the results are compared with that for the (257¯0) GB [Sato et al., Phys. Rev. B, 87,140101 (2013)]. Although atomic arrangements of these GBs can be characterized using the same kinds of structural units (SUs), Pr segregation sites relative to the SU vary with GBs. It is suggested that change in strain distribution for different GBs would cause the variation in the segregation sites and Pr would prefer the Zn site of locally highest tension.
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U2 - 10.1111/jace.13536
DO - 10.1111/jace.13536
M3 - Article
AN - SCOPUS:85027953961
SN - 0002-7820
VL - 98
SP - 1932
EP - 1936
JO - Journal of the American Ceramic Society
JF - Journal of the American Ceramic Society
IS - 6
ER -