Magnetic-field dependence of spin-phonon relaxation and dephasing due to g-factor fluctuations from first principles

Fuente: arXiv
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Main Authors: Quinton, Joshua, Fadel, Mayada, Xu, Junqing, Habib, Adela, Chandra, Mani, Ping, Yuan, Sundararaman, Ravishankar
Format: Preprint
Published: 2024
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_version_ 1866929743935307776
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
id 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