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

J. Yuhara, D. Kato, T. Matsui, S. Mizuno

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    Abstract

    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.

    Original languageEnglish
    Article number174701
    JournalJournal of Chemical Physics
    Volume143
    Issue number17
    DOIs
    Publication statusPublished - Nov 7 2015

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    All Science Journal Classification (ASJC) codes

    • Physics and Astronomy(all)
    • Physical and Theoretical Chemistry

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