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Part 1: Document Description
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Citation |
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Title: |
Nuclear spin relaxation in solid state defect quantum bits via electron-phonon coupling in their optical excited state |
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Identification Number: |
hdl:21.15109/ARP/O4CEI6 |
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Distributor: |
ARP |
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Date of Distribution: |
2025-08-07 |
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Version: |
1 |
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Bibliographic Citation: |
Thiering, Gergő; Gali, Ádám, 2025, "Nuclear spin relaxation in solid state defect quantum bits via electron-phonon coupling in their optical excited state", https://hdl.handle.net/21.15109/ARP/O4CEI6, ARP, V1 |
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Citation |
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Title: |
Nuclear spin relaxation in solid state defect quantum bits via electron-phonon coupling in their optical excited state |
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Identification Number: |
hdl:21.15109/ARP/O4CEI6 |
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Authoring Entity: |
Thiering, Gergő (Wigner Research Centre for Physics) |
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Gali, Ádám (Wigner Research Centre for Physics) |
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Software used in Production: |
https://www.vasp.at/ https://pypi.org/project/jahn-teller-dynamics/ |
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Distributor: |
ARP |
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Access Authority: |
Thiering, Gergő |
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Depositor: |
Thiering, Gergő |
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Date of Deposit: |
2025-08-01 |
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Holdings Information: |
https://hdl.handle.net/21.15109/ARP/O4CEI6 |
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Study Scope |
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Keywords: |
Physics, VASP, Jahn-Teller effect, Diamond, NV center, (D) Zero-field splitting, (A) Hyperfine coupling, (P) Nuclear quadropular coupling, Point defect, Rabi oscillation, Fermi's Golden Rule, ab-initio, first principles, DFT, luminescence, qubit, spin coherence, spin relaxation |
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Abstract: |
Optically accessible solid state defect spins serve as a primary platform for quantum information processing, where precise control of the electron spin and ancillary nuclear spins is essential for operation. Using the nitrogen-vacancy (NV) color center in diamond as an example, we employ a combined group theory and density functional theory study to demonstrate that spin-lattice relaxation of the $^{14}$N nuclear spin is significantly enhanced due to strong entanglement with orbital degrees of freedom in the $|^3E\rangle$ optical excited state of the defect. This mechanism is common to other solid-state defect nuclear spins with similar optical excited states. Additionally, we propose a straightforward and versatile \textit{ab initio} scheme for predicting orbital-dependent spin Hamiltonians for trigonal defects exhibiting orbital degeneracy. |
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Kind of Data: |
VASP INCAR, OUTCAR, vasprun.xml, POSCAR etc. input/output files. |
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Notes: |
See the Readme.md file for instructions. |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Title: |
G. Thiering, A. Gali: arXiv:2402.19418 [quant-ph] (2025) |
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Identification Number: |
10.48550/arXiv.2402.19418 |
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Bibliographic Citation: |
G. Thiering, A. Gali: arXiv:2402.19418 [quant-ph] (2025) |
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Label: |
1_PBE_C3v.tar.gz |
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Text: |
1st row of VASP ab-initio data |
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Notes: |
application/gzip |
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Label: |
2_HSE06_C3v.tar.gz |
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Text: |
2nd row of VASP ab-initio data |
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Notes: |
application/gzip |
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Label: |
data.csv |
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Text: |
Libreoffice (Excel) of supporting data, .csv export |
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Notes: |
text/csv |
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Label: |
data.ods |
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Text: |
Libreoffice (Excel) of supporting data, original version |
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Notes: |
application/vnd.oasis.opendocument.spreadsheet |
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Label: |
data.xlsx |
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Text: |
Libreoffice (Excel) of supporting data, .xlsx export |
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Notes: |
application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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Label: |
p_q_JahnTeller_Ham_factors.tar.gz |
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Text: |
tar.gz archive of VASP vasprun.xml, OUTCAR, POSCAR files to generate p, q factors by the https://pypi.org/project/jahn-teller-dynamics/ code |
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Notes: |
application/gzip |
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Label: |
Readme.md |
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Text: |
Readme file |
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Notes: |
text/markdown |
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Label: |
3_PBE_C1h.tar.gz |
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Notes: |
application/gzip |
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Label: |
4_HSE06_C1h.tar.gz |
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Notes: |
application/gzip |
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Label: |
5_PBE_C1h.tar.gz |
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Notes: |
application/gzip |