Recent advances in the ab initio theory of solid-state defect qubits
Solid-state defects acting as single photon sources and quantum bits are leading contenders in quantum technologies. Despite great efforts, not all the properties and behaviours of the presently known solid-state defect quantum bits are understood. Furthermore, various quantum technologies require n...
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| Format: | Article |
| Language: | English |
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De Gruyter
2023-02-01
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| Series: | Nanophotonics |
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| Online Access: | https://doi.org/10.1515/nanoph-2022-0723 |
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| author | Gali Ádám |
| author_facet | Gali Ádám |
| author_sort | Gali Ádám |
| collection | DOAJ |
| description | Solid-state defects acting as single photon sources and quantum bits are leading contenders in quantum technologies. Despite great efforts, not all the properties and behaviours of the presently known solid-state defect quantum bits are understood. Furthermore, various quantum technologies require novel solutions, thus new solid-state defect quantum bits should be explored to this end. These issues call to develop ab initio methods which accurately yield the key parameters of solid-state defect quantum bits and vastly accelerate the identification of novel ones for a target quantum technology application. In this review, we describe recent developments in the field including the calculation of excited states with quantum mechanical forces, treatment of spatially extended wavefunctions in supercell models, methods for temperature-dependent Herzberg–Teller fluorescence spectrum and photo-ionisation thresholds, accurate calculation of magneto-optical parameters of defects consisting of heavy atoms, as well as spin-phonon interaction responsible for temperature dependence of the longitudonal spin relaxation T1 time and magneto-optical parameters, and finally the calculation of spin dephasing and spin-echo times. We highlight breakthroughs including the description of effective-mass like excited states of deep defects and understanding the leading microscopic effect in the spin-relaxation of isolated nitrogen-vacancy centre in diamond. |
| format | Article |
| id | doaj-art-2155f45241104c59826709b22f0a4a68 |
| institution | DOAJ |
| issn | 2192-8606 2192-8614 |
| language | English |
| publishDate | 2023-02-01 |
| publisher | De Gruyter |
| record_format | Article |
| series | Nanophotonics |
| spelling | doaj-art-2155f45241104c59826709b22f0a4a682025-08-20T02:49:30ZengDe GruyterNanophotonics2192-86062192-86142023-02-0112335939710.1515/nanoph-2022-0723Recent advances in the ab initio theory of solid-state defect qubitsGali Ádám0Wigner Research Centre for Physics, PO. Box 49, BudapestH-1525, HungarySolid-state defects acting as single photon sources and quantum bits are leading contenders in quantum technologies. Despite great efforts, not all the properties and behaviours of the presently known solid-state defect quantum bits are understood. Furthermore, various quantum technologies require novel solutions, thus new solid-state defect quantum bits should be explored to this end. These issues call to develop ab initio methods which accurately yield the key parameters of solid-state defect quantum bits and vastly accelerate the identification of novel ones for a target quantum technology application. In this review, we describe recent developments in the field including the calculation of excited states with quantum mechanical forces, treatment of spatially extended wavefunctions in supercell models, methods for temperature-dependent Herzberg–Teller fluorescence spectrum and photo-ionisation thresholds, accurate calculation of magneto-optical parameters of defects consisting of heavy atoms, as well as spin-phonon interaction responsible for temperature dependence of the longitudonal spin relaxation T1 time and magneto-optical parameters, and finally the calculation of spin dephasing and spin-echo times. We highlight breakthroughs including the description of effective-mass like excited states of deep defects and understanding the leading microscopic effect in the spin-relaxation of isolated nitrogen-vacancy centre in diamond.https://doi.org/10.1515/nanoph-2022-0723density functional theorymany-body perturbation theorysolid-state defect qubitsspin coherence timespin relaxation timetheoretical spectroscopy |
| spellingShingle | Gali Ádám Recent advances in the ab initio theory of solid-state defect qubits Nanophotonics density functional theory many-body perturbation theory solid-state defect qubits spin coherence time spin relaxation time theoretical spectroscopy |
| title | Recent advances in the ab initio theory of solid-state defect qubits |
| title_full | Recent advances in the ab initio theory of solid-state defect qubits |
| title_fullStr | Recent advances in the ab initio theory of solid-state defect qubits |
| title_full_unstemmed | Recent advances in the ab initio theory of solid-state defect qubits |
| title_short | Recent advances in the ab initio theory of solid-state defect qubits |
| title_sort | recent advances in the ab initio theory of solid state defect qubits |
| topic | density functional theory many-body perturbation theory solid-state defect qubits spin coherence time spin relaxation time theoretical spectroscopy |
| url | https://doi.org/10.1515/nanoph-2022-0723 |
| work_keys_str_mv | AT galiadam recentadvancesintheabinitiotheoryofsolidstatedefectqubits |