Atomic Structure of ZnO Σ13 [0001]/{134¯0} Symmetric Tilt Grain Boundary. Issue 2 (7th December 2013)

• Record Type: Journal Article
• Authors: Roh, Ji‐Young; Sato, Yukio; Ikuhara, Yuichi
• Editors: Tan, X.
• Is Part Of: Journal of the American Ceramic Society. Volume 97:Issue 2(2014)
• Page Start: 617
• Page End: 621
• Publication Date: 2013-12-07
• Subjects: Ceramics -- Periodicals; 620.1405
• DOI: 10.1111/jace.12666
• Languages: English
• ISSNs: 0002-7820

Abstract

Abstract : Zinc oxide (ZnO) is used for a wide range of electrical applications, where its grain boundaries (GBs) 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 (SUs) 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.