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The charge cycle of group IV vacancy centers in diamond: From DFT to rate equations

2025/04/28 by Joshua Claes, Claes, Joshua, B. Partoens +3 · 1 citation
Chemistry · Materials Science · Physics and Astronomy · #Atomic Physics (physics.atom-ph) #Computational Physics (physics.comp-ph) #Diamond and Carbon-based Materials Research #FOS: Physical sciences #Fullerene Chemistry and Applications #Materials Science (cond-mat.mtrl-sci) #Optics (physics.optics) #Quantum Physics (quant-ph) #Quantum and electron transport phenomena

paper · pdf · doi:10.48550/arxiv.2504.19748

openalex publication_date 2025/04/28 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

The silicon vacancy center in diamond is a promising system for quantum technologies due to its exceptional optical and spin properties. This has led to great interest in the silicon-vacancy center as well as in the other group IV vacancy centers. In this work, we model the charge cycle of the group IV vacancy centers from the -2 to 0 charge state. As a first step, we compute the onset energies for all relevant one- and two-step ionization processes. Based on these results, we then derive the rate equations using Fermi's golden rule.

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