Reaction pathways of BCl$_3$ for acceptor delta-doping of silicon
Abstract
BCl$_3$ is a promising candidate for atomic-precision acceptor doping in Si, but optimizing the electrical properties of structures created with this technique requires a detailed understanding of adsorption and dissociation pathways for this precursor. Here, we use density functional theory and scanning tunneling microscopy (STM) to identify and explore these pathways for BCl$_3$ on Si(100) at different annealing temperatures. We demonstrate that BCl$_3$ adsorbs selectively without a reaction barrier, and subsequently dissociates relatively easily with reaction barriers $\approx$1 eV. Using this dissociation pathway, we parameterize a Kinetic Monte Carlo model to predict B incorporation rates as a function of dosing conditions. STM is used to image BCl$_{3}$ adsorbates, identifying several surface configurations and tracking the change in their distribution as a function of the annealing temperature, matching predictions of the kinetic model well. This straightforward pathway for atomic-precision acceptor doping helps enable a wide range of applications including bipolar nanoelectronics, acceptor-based qubits, and superconducting Si.
- Publication:
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arXiv e-prints
- Pub Date:
- January 2022
- DOI:
- 10.48550/arXiv.2201.11682
- arXiv:
- arXiv:2201.11682
- Bibcode:
- 2022arXiv220111682C
- Keywords:
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- Condensed Matter - Materials Science;
- Condensed Matter - Mesoscale and Nanoscale Physics
- E-Print:
- 20 pages, 5 figures, Main text + supporting info