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cond-mat.mtrl-sci2026
Molecular Dynamics Study of Defect Evolution Mechanisms in 3C-SiC for Quantum Technologies
Irslan Ullah Ashraf, Gaetano Calogero, Ioannis Deretzis +4
The migration of point defects and formation of spin defects in 3C-SiC were investigated using molecular dynamics simulations, with migration barriers obtained from Nudged Elastic…
cond-mat.mtrl-sci2025
First-Principles Investigation of Surface-Induced Effects on the Properties of Divacancy Qubits in 3C-SiC
Rosario G. Viglione, Giovanni Castorina, Gaetano Calogero +4
Neutral silicon-carbon divacancy (VV) in cubic silicon carbide (3C-SiC) is a promising class of point defects for quantum technologies based on active crystalline cent…
cond-mat.mtrl-sci2024
Local Coordination Modulates the Reflectivity of Liquefied Si-Ge Alloys
Damiano Ricciarelli, Ioannis Deretzis, Gaetano Calogero +3
The properties of liquid Si-Ge binary systems at melting conditions deviate from those expected by the ideal alloy approximation. Particularly, a non-linear dependence of the diele…