Abstract
The adsorption of phosphorus molecules evaporated from InP onto the Si(100) surface has been studied by using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. Five distinct structures of phosphorus adsorbates (four structures for phosphorus dimers and one for a phosphorus tetramer) were observed on the Si(100) surface by STM. Comparisons between bias-dependent STM images and simulated images based on the DFT calculation determined the adsorption sites and structures of these adsorbates. We also discuss their electronic structures and stabilities. Additionally, STM-induced structural conversions of the phosphorus adsorbates to the state with the minimum energy are shown.
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