2026/04/04 by Tatiana V. Pavlova, T.V. Pavlova, Vladimir M. Shevlyuga +1
Engineering · Materials Science · Physics and Astronomy · #Semiconductor materials and devices #Silicon Nanostructures and Photoluminescence #Silicon and Solar Cell Technologies #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.1016/j.apsusc.2026.166813
published as Appl. Surf. Sci. 736, 166813 (2026)
openalex publication_date 2026/04/04 · openalex created_date 2026/04/05 · openalex updated_date 2026/06/18 · arxiv created 2026/07/30 · arxiv updated 2026/07/31
The objective of miniaturizing doped areas in silicon, with the ultimate goal of achieving atomic-precision doping, requires a fundamental understanding of the dopant incorporation process at the atomic level. We present a combined scanning tunneling microscopy (STM) and density functional theory (DFT) investigation of single phosphorus atom incorporation into the Si(100) surface. Phosphorus was supplied via PBr3 molecules, which completely dissociate on Si(100) at room temperature. By performing in situ annealing within the STM, we directly tracked the same phosphorus atom before and after heating. Upon annealing, the P atom undergoes an exchange with a nearby Si atom, forming a stable P-Si-Br complex with a Br atom located atop the Si atom of the heterodimer. The activation barrier calculated using DFT is consistent with our observation of doping starting at temperatures as low as 175 C. These results provide detailed atomic-scale insight into the phosphorus incorporation pathway and offer a foundation for improving methods of precise, single-atom doping in silicon.