First-principles predictions of the diversity in the atomic structures and electronic properties of the reconstructed Si(111)-7 × 7 surface

Key Points

• The aim is to understand the diversity of atomic structures and electronic properties of the Si(111)-7 × 7 surface.
• Utilized first-principles calculations to predict atomic structures.
• Investigated electronic properties associated with different reconstructions.
• Analyzed a specific ferromagnetic semiconducting phase.
• Identified various DAS-like reconstructions on the Si(111)-7 × 7 surface.
• Noted differences in electronic properties, including ferromagnetic characteristics.