The development of novel quantum bits is key to extending the scope of solid-state quantum-information science and technology. Using first-principles calculations, we propose that large metal ion–vacancy pairs are promising qubit candidates in two binary crystals: 4H-SiC and w-AlN. In particular, we found that the formation of neutral Hf- and Zr-vacancy pairs is energetically favorable in both solids; these defects have spin-triplet ground states, with electronic structures similar to those of the diamond nitrogen-vacancy center and the SiC divacancy. Interestingly, they exhibit different spin-strain coupling characteristics, and the nature of heavy metal ions may allow for easy defect implantation in desired lattice locations and ensure stability against defect diffusion. To support future experimental identification of the proposed defects, we report predictions of their optical zero-phonon line, zero-field splitting, and hyperfine parameters. The defect design concept identified here may be generalized to other binary semiconductors to facilitate the exploration of new solid-state qubits.

Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies / Seo, Hosung; Ma, He; Govoni, Marco; Galli, Giulia. - In: PHYSICAL REVIEW MATERIALS. - ISSN 2475-9953. - 1:7(2017), pp. 075002-075002. [10.1103/physrevmaterials.1.075002]

Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies

Marco Govoni;
2017-01-01

Abstract

The development of novel quantum bits is key to extending the scope of solid-state quantum-information science and technology. Using first-principles calculations, we propose that large metal ion–vacancy pairs are promising qubit candidates in two binary crystals: 4H-SiC and w-AlN. In particular, we found that the formation of neutral Hf- and Zr-vacancy pairs is energetically favorable in both solids; these defects have spin-triplet ground states, with electronic structures similar to those of the diamond nitrogen-vacancy center and the SiC divacancy. Interestingly, they exhibit different spin-strain coupling characteristics, and the nature of heavy metal ions may allow for easy defect implantation in desired lattice locations and ensure stability against defect diffusion. To support future experimental identification of the proposed defects, we report predictions of their optical zero-phonon line, zero-field splitting, and hyperfine parameters. The defect design concept identified here may be generalized to other binary semiconductors to facilitate the exploration of new solid-state qubits.
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Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies / Seo, Hosung; Ma, He; Govoni, Marco; Galli, Giulia. - In: PHYSICAL REVIEW MATERIALS. - ISSN 2475-9953. - 1:7(2017), pp. 075002-075002. [10.1103/physrevmaterials.1.075002]
Seo, Hosung; Ma, He; Govoni, Marco; Galli, Giulia
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1295258
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