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Title: Structure of a zinc oxide ultra-thin film on Rh(100)

The structural parameters of ultra-thin zinc oxide films on Rh(100) are investigated using low-energy electron diffraction intensity (LEED I–V) curves, scanning tunneling microscopy (STM), and first-principles density functional theory (DFT) calculations. From the analysis of LEED I–V curves and DFT calculations, two optimized models A and B are determined. Their structures are basically similar to the planer h-BN ZnO(0001) structure, although some oxygen atoms protrude from the surface, associated with an in-plane shift of Zn atoms. From a comparison of experimental STM images and simulated STM images, majority and minority structures observed in the STM images represent the two optimized models A and B, respectively.
Authors:
; ;  [1] ;  [2]
  1. Department of Materials, Physics and Energy Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan)
  2. Department of Molecular and Material Sciences, Kyushu University, Kasuga, Fukuoka 816–8580 (Japan)
Publication Date:
OSTI Identifier:
22493199
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ATOMS; COMPARATIVE EVALUATIONS; DENSITY FUNCTIONAL METHOD; DIAGRAMS; ELECTRON DIFFRACTION; IMAGES; OXYGEN; RHODIUM 100; SCANNING TUNNELING MICROSCOPY; SIMULATION; SURFACES; THIN FILMS; ZINC OXIDES