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PBr3 adsorption on a chlorinated Si(100) surface with mono- and bivacancies

Journal of Chemical Physics. 2024. Vol. 160. No. 5. Article 054701.
Pavlova T., Shevlyuga V. M.

For the most precise incorporation of single impurities in silicon, which is utilized to create quantum devices, a monolayer of adatoms on the Si(100) surface and a dopant-containing molecule are used. Here we studied the interaction of a phosphorus tribromide with a chlorine monolayer with mono- and bivacancies in a scanning tunneling microscope (STM) at 77 K. The combination of different halogens in the molecule and the adsorbate layer enabled unambiguous identification of the structures after PBr3 dissociation on Si(100)-Cl. A Cl monolayer was exposed to PBr3 in the STM chamber, which allows us to compare the same surface areas before and after PBr3 adsorption. As a result of this comparison, we detected small changes in the chlorine layer and unraveled the molecular fragments filling mono- and bivacancies. Using density functional theory, we found that the phosphorus atom occupies a bridge position after dissociation of the PBr3 molecule, which primarily bonds to silicon in Cl bivacancies. These findings provide insight into the interaction of a dopant containing molecule with an adsorbate monolayer on Si(100) and can be applied to improve the process of single impurities incorporation into silicon.

Research target: Physics
Language: English
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Keywords: адсорбцияповерхностьsurfaceкремнийsiliconscanning tunneling microscopeсканирующий туннельный микроскопPHOSPHORUSФОСФОРadsorption
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