PBr3 Adsorption and Dissociation on the Si(100) Surface

Fuente: arXiv
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Hauptverfasser: Shevlyuga, Vladimir M., Vorontsova, Yulia A., Pavlova, Tatiana V.
Format: Preprint
Veröffentlicht: 2025
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_version_ 1866912665908019200
author Shevlyuga, Vladimir M.
Vorontsova, Yulia A.
Pavlova, Tatiana V.
author_facet Shevlyuga, Vladimir M.
Vorontsova, Yulia A.
Pavlova, Tatiana V.
contents The adsorption of PBr3 on the Si(100)-2$\times$1 surface was studied by scanning tunneling microscopy (STM) and density functional theory (DFT). The PBr3 molecule completely dissociates on the Si(100) surface at room temperature into P and Br atoms. In most cases, the dissociated molecule was observed in STM on three neighboring Si dimers. DFT calculations confirm that the PBr3 molecule can completely dissociate at room temperature. After annealing the sample to 400$^{\circ}$C, phosphorus is incorporated into silicon, as evidenced by the Si atoms ejected to the surface. These findings are useful for the insertion of individual phosphorus atoms into silicon by PBr3 adsorption through a halogen mask.
format Preprint
id arxiv_https___arxiv_org_abs_2510_20420
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle PBr3 Adsorption and Dissociation on the Si(100) Surface
Shevlyuga, Vladimir M.
Vorontsova, Yulia A.
Pavlova, Tatiana V.
Materials Science
The adsorption of PBr3 on the Si(100)-2$\times$1 surface was studied by scanning tunneling microscopy (STM) and density functional theory (DFT). The PBr3 molecule completely dissociates on the Si(100) surface at room temperature into P and Br atoms. In most cases, the dissociated molecule was observed in STM on three neighboring Si dimers. DFT calculations confirm that the PBr3 molecule can completely dissociate at room temperature. After annealing the sample to 400$^{\circ}$C, phosphorus is incorporated into silicon, as evidenced by the Si atoms ejected to the surface. These findings are useful for the insertion of individual phosphorus atoms into silicon by PBr3 adsorption through a halogen mask.
title PBr3 Adsorption and Dissociation on the Si(100) Surface
topic Materials Science
url https://arxiv.org/abs/2510.20420