Theoretical STM images of alkaline-earth metal adsorbed Si(1 1 1)3 × 2 surfaces |
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Authors: | Suklyun Hong Geunseop Lee |
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Institution: | a Department of Physics and Institute of Fundamental Physics, Sejong University, Seoul 143-747, Republic of Korea b Department of Physics, Inha University, Incheon 402-751, Republic of Korea c Division of Advanced Technology, Korea Research Institute of Standards and Science, Daejeon 305-600, Republic of Korea |
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Abstract: | We have performed total-energy calculations to study theoretical scanning tunneling microscopy (STM) images of the Si(1 1 1)3 × 2 surfaces induced by the adsorption of alkaline-earth metals (AEMs). Previously, in a series of works on Ba/Si(1 1 1) system, we have found that the observed Si(1 1 1)3 × 1-Ba LEED phase indeed has a 3 × 2 periodicity with a Ba coverage of 1/6 ML and the HCC substrate structure. Based on results of the Ba case, we proposed that the HCC structure is also adopted for other AEM atoms, which was confirmed by our recent work. In this paper, we mainly report the STM simulations for different AEM systems to compare with existing experimental data. We discuss the difference in the detailed STM images for different AEM adsorbates. Especially, the difference in filled-state images between Mg and other AEM atoms is attributed to the strong Mg-Si interaction. |
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Keywords: | Honeycomb chain-channel (HCC) structure Si(1 1 1)3 × 2 surface Alkaline-earth metals (Mg Ca Sr Ba) Ab initio calculations STM images |
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