Study of the Formation of Low-Dimensional Defect States in Single-Crystal Silicon with the Participation of Oxygen

Abstract

This study investigates the formation of low-dimensional defect states in monocrystalline silicon involving oxygen, focusing on structural inhomogeneities and their impact on material properties. Monocrystalline silicon, a cornerstone of modern nanoelectronics, is primarily produced using the Czochralski method, which often introduces oxygen impurities. These impurities form oxide inclusions (SiOₓ) and complexes (Si–O_n) during thermal treatments at 400–800°C, leading to defects that affect electrical and structural properties. The research employs X-ray diffraction to analyze p-type silicon samples grown by the Czochralski method, with thermal treatments at 950°C, 1050°C, and 1150°C. Results reveal that thermal processing redistributes atoms and defects, increasing lattice parameters and crystallinity, peaking at 1050°C. Subcrystalline sizes vary with temperature, reaching maximum stability at 1050°C. Oxygen and boron interactions form SiO₂ and B₂O₃ crystallites, with sizes ranging from 21–25 nm and 55 nm, respectively. Additionally, small clusters (1.6–2 nm) of SiOₓ form in surface regions, indicating unsaturated silicon bonds and localized microdefects. The study also identifies SiB₆ crystallites (71–95 nm) on the surface, growing through Ostwald ripening at higher temperatures. These findings highlight the complex interplay between oxygen impurities, thermal treatments, and defect formation in silicon crystals. The research provides insights into optimizing silicon production processes to minimize defects and enhance material performance for advanced electronic applications. The results underscore the importance of controlling oxygen content and thermal processing conditions to achieve high-quality monocrystalline silicon with tailored properties. This work contributes to a deeper understanding of defect dynamics in silicon, offering practical implications for improving semiconductor manufacturing techniques. By addressing the challenges posed by oxygen impurities, the study paves the way for developing more efficient and reliable silicon-based devices in the nanoelectronics industry.