Magnetic-field dependence of spin-phonon relaxation and dephasing due to g-factor fluctuations from first principles
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
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2024
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| _version_ | 1866929743935307776 |
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| author | Quinton, Joshua Fadel, Mayada Xu, Junqing Habib, Adela Chandra, Mani Ping, Yuan Sundararaman, Ravishankar |
| author_facet | Quinton, Joshua Fadel, Mayada Xu, Junqing Habib, Adela Chandra, Mani Ping, Yuan Sundararaman, Ravishankar |
| contents | The electron spin decay lifetime in materials can be characterized by relaxation (T1) and irreversible (T2) and reversible (T2*) decoherence processes. Their interplay leads to a complex dependence of spin relaxation times on the direction and magnitude of magnetic fields, relevant for spintronics and quantum information applications. Here, we use real-time first-principles density matrix dynamics simulations to directly simulate Hahn echo measurements, disentangle dephasing from decoherence, and predict T1, T2 and T2* spin lifetimes. We show that g-factor fluctuations lead to non-trivial magnetic field dependence of each of these lifetimes in inversion-symmetric crystals of CsPbBr3 and silicon, even when only intrinsic spin-phonon scattering is present. Most importantly, fluctuations in the off-diagonal components of the g-tensor lead to a strong magnetic field dependence of even the T1 lifetime in silicon. Our calculations elucidate the detailed role of anisotropic g-factors in determining the spin dynamics even in simple, low spin-orbit coupling materials such as silicon. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2411_18608 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Magnetic-field dependence of spin-phonon relaxation and dephasing due to g-factor fluctuations from first principles Quinton, Joshua Fadel, Mayada Xu, Junqing Habib, Adela Chandra, Mani Ping, Yuan Sundararaman, Ravishankar Materials Science Computational Physics The electron spin decay lifetime in materials can be characterized by relaxation (T1) and irreversible (T2) and reversible (T2*) decoherence processes. Their interplay leads to a complex dependence of spin relaxation times on the direction and magnitude of magnetic fields, relevant for spintronics and quantum information applications. Here, we use real-time first-principles density matrix dynamics simulations to directly simulate Hahn echo measurements, disentangle dephasing from decoherence, and predict T1, T2 and T2* spin lifetimes. We show that g-factor fluctuations lead to non-trivial magnetic field dependence of each of these lifetimes in inversion-symmetric crystals of CsPbBr3 and silicon, even when only intrinsic spin-phonon scattering is present. Most importantly, fluctuations in the off-diagonal components of the g-tensor lead to a strong magnetic field dependence of even the T1 lifetime in silicon. Our calculations elucidate the detailed role of anisotropic g-factors in determining the spin dynamics even in simple, low spin-orbit coupling materials such as silicon. |
| title | Magnetic-field dependence of spin-phonon relaxation and dephasing due to g-factor fluctuations from first principles |
| topic | Materials Science Computational Physics |
| url | https://arxiv.org/abs/2411.18608 |