Non-flipping 13C spins near an NV center in diamond: hyperfine and spatial characteristics by density functional theory simulation of the C510[NV]H252 cluster
Single NV centers in diamond coupled by hyperfine interaction ( hfi ) to neighboring ^13 C nuclear spins are now widely used in emerging quantum technologies as elements of quantum memory adjusted to a nitrogen-vacancy (NV) center electron spin qubit. For nuclear spins with low flip-flop rate, singl...
| Main Authors: | , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2018-01-01
|
| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/aaa910 |
| _version_ | 1797750687803637760 |
|---|---|
| author | A P Nizovtsev S Ya Kilin A L Pushkarchuk V A Pushkarchuk S A Kuten O A Zhikol S Schmitt T Unden F Jelezko |
| author_facet | A P Nizovtsev S Ya Kilin A L Pushkarchuk V A Pushkarchuk S A Kuten O A Zhikol S Schmitt T Unden F Jelezko |
| author_sort | A P Nizovtsev |
| collection | DOAJ |
| description | Single NV centers in diamond coupled by hyperfine interaction ( hfi ) to neighboring ^13 C nuclear spins are now widely used in emerging quantum technologies as elements of quantum memory adjusted to a nitrogen-vacancy (NV) center electron spin qubit. For nuclear spins with low flip-flop rate, single shot readout was demonstrated under ambient conditions. Here we report on a systematic search for such stable NV− ^13 C systems using density functional theory to simulate the hfi and spatial characteristics of all possible NV− ^13 C complexes in the H-terminated cluster C _510 [NV] ^- H _252 hosting the NV center. Along with the expected stable ‘NV-axial− ^13 C’ systems wherein the ^13 C nuclear spin is located on the NV axis, we found for the first time new families of positions for the ^13 C nuclear spin exhibiting negligible hfi -induced flipping rates due to near-symmetric local spin density distribution. Spatially, these positions are located in the diamond bilayer passing through the vacancy of the NV center and being perpendicular to the NV axis. Analysis of available publications showed that, apparently, some of the predicted non-axial near-stable NV− ^13 C systems have already been observed experimentally. A special experiment performed on one of these systems confirmed the prediction made. |
| first_indexed | 2024-03-12T16:36:27Z |
| format | Article |
| id | doaj.art-6fe347a3aef74347afc940dcba09fa15 |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T16:36:27Z |
| publishDate | 2018-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-6fe347a3aef74347afc940dcba09fa152023-08-08T14:50:34ZengIOP PublishingNew Journal of Physics1367-26302018-01-0120202302210.1088/1367-2630/aaa910Non-flipping 13C spins near an NV center in diamond: hyperfine and spatial characteristics by density functional theory simulation of the C510[NV]H252 clusterA P Nizovtsev0S Ya Kilin1A L Pushkarchuk2V A Pushkarchuk3S A Kuten4O A Zhikol5S Schmitt6T Unden7F Jelezko8B.I. Stepanov Institute of Physics , Nat. Acad. Sci. of Belarus, Nezavisimosti Ave. 68, 220072 Minsk, BelarusB.I. Stepanov Institute of Physics , Nat. Acad. Sci. of Belarus, Nezavisimosti Ave. 68, 220072 Minsk, BelarusInstitute of Physical Organic Chemistry , Nat. Acad. Sci. of Belarus, Surganova 13, 220072 Minsk, Belarus; Institute for Nuclear Problems, Belarusian State University , Bobruiskaia 11, 220030 Minsk, BelarusBelarusian State University of Informatics and Radioelectronics , P. Browka 6, 220013 Minsk, BelarusInstitute for Nuclear Problems, Belarusian State University , Bobruiskaia 11, 220030 Minsk, BelarusSSI ‘Institute of Single Crystals’ , Nat. Acad. Sci. of Ukraine, Nauki Ave. 60, 61078 Kharkiv, UkraineInstitute for Quantum Optics, Ulm University , Albert-Einstein Allee 11, D-89081 Ulm, GermanyInstitute for Quantum Optics, Ulm University , Albert-Einstein Allee 11, D-89081 Ulm, GermanyInstitute for Quantum Optics, Ulm University , Albert-Einstein Allee 11, D-89081 Ulm, Germany; Centre for Integrated Quantum Science and Technology (IQST), Ulm University, 89081 Ulm, GermanySingle NV centers in diamond coupled by hyperfine interaction ( hfi ) to neighboring ^13 C nuclear spins are now widely used in emerging quantum technologies as elements of quantum memory adjusted to a nitrogen-vacancy (NV) center electron spin qubit. For nuclear spins with low flip-flop rate, single shot readout was demonstrated under ambient conditions. Here we report on a systematic search for such stable NV− ^13 C systems using density functional theory to simulate the hfi and spatial characteristics of all possible NV− ^13 C complexes in the H-terminated cluster C _510 [NV] ^- H _252 hosting the NV center. Along with the expected stable ‘NV-axial− ^13 C’ systems wherein the ^13 C nuclear spin is located on the NV axis, we found for the first time new families of positions for the ^13 C nuclear spin exhibiting negligible hfi -induced flipping rates due to near-symmetric local spin density distribution. Spatially, these positions are located in the diamond bilayer passing through the vacancy of the NV center and being perpendicular to the NV axis. Analysis of available publications showed that, apparently, some of the predicted non-axial near-stable NV− ^13 C systems have already been observed experimentally. A special experiment performed on one of these systems confirmed the prediction made.https://doi.org/10.1088/1367-2630/aaa910NV centersdiamonddensity functional theory81.05.Uw71.55.-i31.30.Gs |
| spellingShingle | A P Nizovtsev S Ya Kilin A L Pushkarchuk V A Pushkarchuk S A Kuten O A Zhikol S Schmitt T Unden F Jelezko Non-flipping 13C spins near an NV center in diamond: hyperfine and spatial characteristics by density functional theory simulation of the C510[NV]H252 cluster New Journal of Physics NV centers diamond density functional theory 81.05.Uw 71.55.-i 31.30.Gs |
| title | Non-flipping 13C spins near an NV center in diamond: hyperfine and spatial characteristics by density functional theory simulation of the C510[NV]H252 cluster |
| title_full | Non-flipping 13C spins near an NV center in diamond: hyperfine and spatial characteristics by density functional theory simulation of the C510[NV]H252 cluster |
| title_fullStr | Non-flipping 13C spins near an NV center in diamond: hyperfine and spatial characteristics by density functional theory simulation of the C510[NV]H252 cluster |
| title_full_unstemmed | Non-flipping 13C spins near an NV center in diamond: hyperfine and spatial characteristics by density functional theory simulation of the C510[NV]H252 cluster |
| title_short | Non-flipping 13C spins near an NV center in diamond: hyperfine and spatial characteristics by density functional theory simulation of the C510[NV]H252 cluster |
| title_sort | non flipping 13c spins near an nv center in diamond hyperfine and spatial characteristics by density functional theory simulation of the c510 nv h252 cluster |
| topic | NV centers diamond density functional theory 81.05.Uw 71.55.-i 31.30.Gs |
| url | https://doi.org/10.1088/1367-2630/aaa910 |
| work_keys_str_mv | AT apnizovtsev nonflipping13cspinsnearannvcenterindiamondhyperfineandspatialcharacteristicsbydensityfunctionaltheorysimulationofthec510nvh252cluster AT syakilin nonflipping13cspinsnearannvcenterindiamondhyperfineandspatialcharacteristicsbydensityfunctionaltheorysimulationofthec510nvh252cluster AT alpushkarchuk nonflipping13cspinsnearannvcenterindiamondhyperfineandspatialcharacteristicsbydensityfunctionaltheorysimulationofthec510nvh252cluster AT vapushkarchuk nonflipping13cspinsnearannvcenterindiamondhyperfineandspatialcharacteristicsbydensityfunctionaltheorysimulationofthec510nvh252cluster AT sakuten nonflipping13cspinsnearannvcenterindiamondhyperfineandspatialcharacteristicsbydensityfunctionaltheorysimulationofthec510nvh252cluster AT oazhikol nonflipping13cspinsnearannvcenterindiamondhyperfineandspatialcharacteristicsbydensityfunctionaltheorysimulationofthec510nvh252cluster AT sschmitt nonflipping13cspinsnearannvcenterindiamondhyperfineandspatialcharacteristicsbydensityfunctionaltheorysimulationofthec510nvh252cluster AT tunden nonflipping13cspinsnearannvcenterindiamondhyperfineandspatialcharacteristicsbydensityfunctionaltheorysimulationofthec510nvh252cluster AT fjelezko nonflipping13cspinsnearannvcenterindiamondhyperfineandspatialcharacteristicsbydensityfunctionaltheorysimulationofthec510nvh252cluster |