Spin-phonon decoherence in solid-state paramagnetic defects from first principles

نویسندگان

چکیده

Abstract Paramagnetic defects in diamond and hexagonal boron nitride possess a combination of spin optical properties that make them prototypical solid-state qubits. Despite the coherence these qubits being critically limited by spin-phonon relaxation, full understanding this process is not yet available. Here we apply ab initio dynamics simulations to problem quantitatively reproduce experimental temperature dependence relaxation time time. We demonstrate low-frequency two-phonon modulations zero-field splitting are responsible for decoherence, point nature vibrations 2-dimensional materials as culprit their shorter These results provide an interpretation decoherence paramagnetic defects, offer strategy correctly interpret results, pave way accelerated design

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ژورنال

عنوان ژورنال: npj computational materials

سال: 2023

ISSN: ['2057-3960']

DOI: https://doi.org/10.1038/s41524-023-01082-9