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cond-mat.mtrl-sci2026
Bond reconstruction and vacancy clustering in monolayer silicon carbide from first principles
Péter Udvarhelyi
Bond reconstruction in vacancy-related structures affects their formation energies, symmetries, and electronic and optical properties. Using density functional theory, we investiga…
cond-mat.mtrl-sci2026
First-principles insights into the atomic structure of carbon-nitrogen-oxygen complex color centers in silicon
Péter Udvarhelyi
Spin-active color centers are the basis of solid-state defect systems utilized in quantum technologies. Although silicon is an emerging host material for quantum defects, there is…