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Atomic Structure of ZnO Σ13 [0001]/{13 4 ¯ 0} Symmetric Tilt Grain Boundary
Author(s) -
Roh JiYoung,
Sato Yukio,
Ikuhara Yuichi
Publication year - 2014
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.12666
Subject(s) - grain boundary , atomic units , tilt (camera) , zinc , transmission electron microscopy , materials science , rotation (mathematics) , crystallography , oxide , condensed matter physics , chemistry , geometry , physics , nanotechnology , microstructure , mathematics , quantum mechanics , metallurgy
Zinc oxide ( ZnO ) is used for a wide range of electrical applications, where its grain boundaries ( GB s) possibly influence the physical properties. It is important to determine the GB structure in atomic scale to understand GB effects on the electrical properties. In this study, the atomic structure of a ZnO GB is investigated in detail by scanning transmission electron microscopy and theoretical calculations. It is shown that the atomic structure of ZnO Σ13 [0001]/{13 4 ¯ 0} 32.2° symmetric tilt GB is constructed as an array of structural units ( SU s) of six‐ and eight‐membered rings. The GB has two different SU alignments. The dominant structure of the GB is the zig‐zag SU alignment and the secondary one is the straight SU alignment. The relation between the SU alignment and the rotation angle has been determined.