TY - JOUR
T1 - Structural investigation of flat overlayer and surface alloy of Sn on Mo(110)
AU - Chen, Xiaobin
AU - Banik, Dhiman
AU - Nakagawa, Takeshi
N1 - Funding Information:
This work was supported by JSPS KAKENHI Grant Number JP22K04928 .
Publisher Copyright:
© 2022 Elsevier B.V.
PY - 2023/3
Y1 - 2023/3
N2 - Atomic structures of Sn on Mo(110) are investigated using low-energy electron diffraction (LEED) and density functional theory (DFT) calculation. Sn atoms occupy substitutional sites at elevated temperatures in (3 × 1) structure, corresponding to a coverage of 0.33 ML. The substitutional model agrees with previous LEED, workfunction, and STM results. For (1 × 3) structure at 0.67 ML, Sn atoms adsorb in the nearest three-fold hollow sites. With increasing Sn coverage, the (1 × 4) structure at 0.75 ML, Sn atoms start to fill four-fold hollow sites. On both overlayer phases, Sn structures are flat without significant buckling.
AB - Atomic structures of Sn on Mo(110) are investigated using low-energy electron diffraction (LEED) and density functional theory (DFT) calculation. Sn atoms occupy substitutional sites at elevated temperatures in (3 × 1) structure, corresponding to a coverage of 0.33 ML. The substitutional model agrees with previous LEED, workfunction, and STM results. For (1 × 3) structure at 0.67 ML, Sn atoms adsorb in the nearest three-fold hollow sites. With increasing Sn coverage, the (1 × 4) structure at 0.75 ML, Sn atoms start to fill four-fold hollow sites. On both overlayer phases, Sn structures are flat without significant buckling.
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U2 - 10.1016/j.susc.2022.122224
DO - 10.1016/j.susc.2022.122224
M3 - Article
AN - SCOPUS:85142770331
SN - 0039-6028
VL - 729
JO - Surface Science
JF - Surface Science
M1 - 122224
ER -