Premium
Grain Boundary Plane Effect on Pr Segregation Site in ZnO Σ13 [0001] Symmetric Tilt Grain Boundaries
Author(s) -
Roh JiYoung,
Sato Yukio,
Ikuhara Yuichi
Publication year - 2015
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/jace.13536
Subject(s) - grain boundary , crystallite , praseodymium , tilt (camera) , materials science , zinc , dopant , doping , crystallography , condensed matter physics , chemistry , microstructure , metallurgy , geometry , physics , optoelectronics , mathematics
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) GB s for case study. In this study, we study the atomic structure of Pr‐doped ZnO [0001]/(13 4 ¯ 0) Σ13 symmetric tilt GB , and the results are compared with that for the (25 7 ¯ 0) GB [Sato et al ., Phys. Rev. B, 87,140101 (2013)]. Although atomic arrangements of these GB s can be characterized using the same kinds of structural units ( SU s), Pr segregation sites relative to the SU vary with GB s. It is suggested that change in strain distribution for different GB s would cause the variation in the segregation sites and Pr would prefer the Zn site of locally highest tension.