Ab initio spin-phonon calculations show that direct one-phonon processes mediated by the flexural ZA acoustic branch drive the non-monotonic T1 relaxation of the hBN boron vacancy at high magnetic fields without fitting parameters.
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Kubo theory yields T1 and T2 from spin-lattice correlation functions; these are evaluated with ML-driven ab initio molecular dynamics and match experimental T1 values for the NV center in diamond.
citing papers explorer
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Acoustic-phonon-driven spin-lattice relaxation of the hBN boron vacancy in the sub-THz regime
Ab initio spin-phonon calculations show that direct one-phonon processes mediated by the flexural ZA acoustic branch drive the non-monotonic T1 relaxation of the hBN boron vacancy at high magnetic fields without fitting parameters.
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Spin Dynamics from Atomistic Quantum Simulations
Kubo theory yields T1 and T2 from spin-lattice correlation functions; these are evaluated with ML-driven ab initio molecular dynamics and match experimental T1 values for the NV center in diamond.