TY - JOUR
T1 - Structure of a zinc oxide ultra-thin film on Rh(100)
AU - Yuhara, J.
AU - Kato, D.
AU - Matsui, T.
AU - Mizuno, S.
N1 - Publisher Copyright:
© 2015 AIP Publishing LLC.
PY - 2015/11/7
Y1 - 2015/11/7
N2 - 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.
AB - 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.
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U2 - 10.1063/1.4934918
DO - 10.1063/1.4934918
M3 - Article
AN - SCOPUS:84946600447
SN - 0021-9606
VL - 143
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 17
M1 - 174701
ER -