Charge-State Stability of Color Centers in Wide-Bandgap Semiconductors

The NV\(^-\) color center in diamond has been extensively investigated for quantum sensing, computation, and communication applications. Nonetheless, charge-state decay from the NV\(^-\) to its neutral counterpart the NV\(^0\) detrimentally affects the robustness of the NV\(^-\) center and remains t...

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Veröffentlicht in:arXiv.org 2023-12
Hauptverfasser: Rodrick Kuate Defo, Rodriguez, Alejandro W, Richardson, Steven L
Format: Artikel
Sprache:eng
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Zusammenfassung:The NV\(^-\) color center in diamond has been extensively investigated for quantum sensing, computation, and communication applications. Nonetheless, charge-state decay from the NV\(^-\) to its neutral counterpart the NV\(^0\) detrimentally affects the robustness of the NV\(^-\) center and remains to be fully overcome. In this work, we provide an \(ab~initio\) formalism for accurately estimating the rate of charge-state decay of color centers in wide-bandgap semiconductors. Our formalism employs density functional theory calculations in the context of thermal equilibrium. We illustrate the method using the transition of NV\(^-\) to NV\(^0\) in the presence of substitutional N [see Z. Yuan \(et~al\)., PRR 2, 033263 (2020)].
ISSN:2331-8422
DOI:10.48550/arxiv.2307.16072