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arXiv · 2408.08768

Low temperature decoherence dynamics in molecular spin systems using the Lindblad master equation

Timothy J. Krogmeier·Anthony W. Schlimgen·Kade Head-Marsden
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Abstract

Understanding the spin dynamics in low-temperature settings is crucial to designing and optimizing molecular spin systems for use in emerging quantum technologies. At low temperatures, irreversible loss occurs due to ensemble dynamics facilitated by electronic-nuclear spin interactions. We develop a combined open quantum systems and electronic structure theory capable of predicting trends in relaxation rates in molecular spin ensembles. We use the Gorini-Kossakowski-Sudarshan-Lindblad master equation and explicitly include electronic structure information in the decoherence channels. We apply this theory to several molecular systems pertinent to contemporary quantum technologies. Our theory provides a framework to describe irreversible relaxation effects in molecular spin systems with applications in quantum information science, quantum sensing, molecular spintronics, and other spin systems dominated by spin-spin relaxation.

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Timothy J. Krogmeier, Anthony W. Schlimgen, Kade Head-Marsden. 2024-08-16. Low temperature decoherence dynamics in molecular spin systems using the Lindblad master equation. https://doi.org/10.1039/d4sc05627b

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