journal article·2013-12-23Open access

Zigzag Inversion Domain Boundaries in Indium Zinc Oxide-Based Nanowires: Structure and Formation

Anna P. Goldstein, Sean C. Andrews, Robert F. Berger, Velimir R. Radmilovic, Jeffrey B. Neaton, Peidong Yang

ACS Nano· Volume 7· Issue 12

Abstract

Existing models for the crystal structure of indium zinc oxide (IZO) and indium iron zinc oxide (IFZO) conflict with electron microscopy data. We propose a model based on imaging and spectroscopy of IZO and IFZO nanowires and verify it using density functional theory. The model features a {121 [symbol: see text]} "zigzag" layer, which is an inversion domain boundary containing 5-coordinate indium and/or iron atoms. Higher [symbol: see text] values are observed for greater proportion of iron. We suggest a mechanism of formation in which the basal inclusion and the zigzag diffuse inward together from the surface of the nanowire.
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Research context

OpenAlex topics: ZnO doping and properties · Surface and Thin Film Phenomena · Copper-based nanomaterials and applications

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Affiliations

Department of Chemistry and

Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Faculty of Technology and Metallurgy, Nanotechnology and Functional Materials Center, University of Belgrade, 11120 Belgrade, Serbia

Department of Materials Science and Engineering, University of California, Berkeley, Berkeley, California 94720, United States

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