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- W3105136389 abstract "Designing new quantum materials with long-lived electron spin states urgently requires a general theoretical formalism and computational technique to reliably predict intrinsic spin relaxation times. We present a new, accurate and universal first-principles methodology based on Lindbladian dynamics of density matrices to calculate spin-phonon relaxation time ($tau_s$) of solids with arbitrary spin mixing and crystal symmetry. This method describes contributions of Elliott-Yafet (EY) and D'yakonov-Perel' (DP) mechanisms to spin relaxation for systems with and without inversion symmetry on an equal footing. We show that intrinsic spin and momentum relaxation times both decrease with increasing temperature; however, for the DP mechanism, spin relaxation time varies inversely with extrinsic scattering time. We predict large anisotropy of spin lifetime in transition metal dichalcogenides. The excellent agreement with experiments for a broad range of materials underscores the predictive capability of our method for properties critical to quantum information science." @default.
- W3105136389 created "2020-11-23" @default.
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- W3105136389 date "2020-06-03" @default.
- W3105136389 modified "2023-10-18" @default.
- W3105136389 title "Spin-phonon relaxation from a universal ab initio density-matrix approach" @default.
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- W3105136389 doi "https://doi.org/10.1038/s41467-020-16063-5" @default.
- W3105136389 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7270186" @default.
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