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| Main Authors: | , , , , , , |
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| Format: | Preprint |
| Published: |
2023
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2305.05791 |
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| _version_ | 1866917577569075200 |
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| author | Bilgin, Anil Hammock, Ian Estes, Jeremy Jin, Yu Bernien, Hannes High, Alexander Galli, Giulia |
| author_facet | Bilgin, Anil Hammock, Ian Estes, Jeremy Jin, Yu Bernien, Hannes High, Alexander Galli, Giulia |
| contents | We propose a quantum science platform utilizing the dipole-dipole coupling between donor-acceptor pairs (DAPs) in wide bandgap semiconductors to realize optically controllable, long-range interactions between defects in the solid state. We carry out calculations based on density functional theory (DFT) to investigate the electronic structure and interactions of DAPs formed by various substitutional point defects in diamond and silicon carbide (SiC). We determine the most stable charge states and evaluate zero phonon lines using constrained DFT and compare our results with those of simple donor-acceptor pair (DAP) models. We show that polarization differences between ground and excited states lead to unusually large electric dipole moments for several DAPs in diamond and SiC. We predict radiative lifetimes and photoluminescence spectra for selected substitutional atoms and show that while B-N pairs in diamond are challenging to control due to their large electron-phonon coupling, DAPs in SiC, especially Al-N pairs, are suitable candidates to realize long-range optically controllable interactions. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2305_05791 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Donor-Acceptor Pairs in Wide-Bandgap Semiconductors for Quantum Technology Applications Bilgin, Anil Hammock, Ian Estes, Jeremy Jin, Yu Bernien, Hannes High, Alexander Galli, Giulia Quantum Physics Materials Science We propose a quantum science platform utilizing the dipole-dipole coupling between donor-acceptor pairs (DAPs) in wide bandgap semiconductors to realize optically controllable, long-range interactions between defects in the solid state. We carry out calculations based on density functional theory (DFT) to investigate the electronic structure and interactions of DAPs formed by various substitutional point defects in diamond and silicon carbide (SiC). We determine the most stable charge states and evaluate zero phonon lines using constrained DFT and compare our results with those of simple donor-acceptor pair (DAP) models. We show that polarization differences between ground and excited states lead to unusually large electric dipole moments for several DAPs in diamond and SiC. We predict radiative lifetimes and photoluminescence spectra for selected substitutional atoms and show that while B-N pairs in diamond are challenging to control due to their large electron-phonon coupling, DAPs in SiC, especially Al-N pairs, are suitable candidates to realize long-range optically controllable interactions. |
| title | Donor-Acceptor Pairs in Wide-Bandgap Semiconductors for Quantum Technology Applications |
| topic | Quantum Physics Materials Science |
| url | https://arxiv.org/abs/2305.05791 |