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      \(\textit{Ab initio}\) and group theoretical study of properties of the \(\text{C}_\text{2}\text{C}_\text{N}\) carbon trimer defect in h-BN

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          Abstract

          Hexagonal boron nitride (h-BN) is a promising platform for quantum information processing due to its potential to host optically active defects with attractive optical and spin properties. Recent studies suggest that carbon trimers might be the defect responsible for single-photon emission in the visible spectral range in h-BN. In this theoretical study, we combine group theory together with density functional theory (DFT) calculations to predict the properties of the neutral \(\text{C}_\text{2}\text{C}_\text{N}\) carbon trimer defect. We find the multi-electron states of this defect along with possible radiative and non-radiative transitions assisted by the spin-orbit and the spin-spin interactions. We also investigate the Hamiltonian for external magnetic field and ground-state hyperfine interactions. Lastly, we use the results of our investigation in a Lindblad master equation model to predict an optically detected magnetic resonance (ODMR) signal and the \(g^2(\tau)\) correlation function. Our findings can have important outcomes in quantum information applications such as quantum repeaters used in quantum networks and quantum sensing.

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          Author and article information

          Journal
          18 October 2021
          Article
          2110.09628
          21b7396f-4506-422a-be10-574a81b9cc3f

          http://arxiv.org/licenses/nonexclusive-distrib/1.0/

          Custom metadata
          18 pages, 12 figures, 7 tables
          cond-mat.mtrl-sci quant-ph

          Condensed matter, Quantum physics & Field theory

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