Spin Dynamics from Atomistic Quantum Simulations
Fuente:
arXiv
Gespeichert in:
| Hauptverfasser: | , , , , , , |
|---|---|
| Format: | Preprint |
| Veröffentlicht: |
2026
|
| Schlagworte: | |
| Online-Zugang: | |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| _version_ | 1866915983454633984 |
|---|---|
| author | Drigo, Enrico McMillan, Marquis M. Pingault, Benjamin Dong, Yinan Heremans, F. Joseph Awschalom, David D. Galli, Giulia |
| author_facet | Drigo, Enrico McMillan, Marquis M. Pingault, Benjamin Dong, Yinan Heremans, F. Joseph Awschalom, David D. Galli, Giulia |
| contents | Optically active solid-state spin defects are promising candidates for quantum applications, however a unified theoretical framework to predict their spin dynamics at high temperatures is not yet available. Here, using Kubo linear--response theory, we derive expressions of spin-lattice and decoherence times \(T_1\) and \(T_2\) in terms of correlation functions of spin--lattice couplings. We then evaluate \(T_1\) and \(T_2\) from molecular dynamics and spin--lattice interaction time--series generated by state--of--the--art machine learning models trained on {\it ab--initio} data. Finally we measure \(T_1\) times for the NV center in diamond and compare experimental and theoretical results, showing excellent agreement. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2605_04294 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Spin Dynamics from Atomistic Quantum Simulations Drigo, Enrico McMillan, Marquis M. Pingault, Benjamin Dong, Yinan Heremans, F. Joseph Awschalom, David D. Galli, Giulia Materials Science Optically active solid-state spin defects are promising candidates for quantum applications, however a unified theoretical framework to predict their spin dynamics at high temperatures is not yet available. Here, using Kubo linear--response theory, we derive expressions of spin-lattice and decoherence times \(T_1\) and \(T_2\) in terms of correlation functions of spin--lattice couplings. We then evaluate \(T_1\) and \(T_2\) from molecular dynamics and spin--lattice interaction time--series generated by state--of--the--art machine learning models trained on {\it ab--initio} data. Finally we measure \(T_1\) times for the NV center in diamond and compare experimental and theoretical results, showing excellent agreement. |
| title | Spin Dynamics from Atomistic Quantum Simulations |
| topic | Materials Science |
| url | https://arxiv.org/abs/2605.04294 |