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

• URL: http://arxiv.org/abs/2212.11705v1
• Date: Thu, 22 Dec 2022 13:48:05 GMT
• Title: Spin-phonon decoherence in solid-state paramagnetic defects from first principles
• Authors: Sourav Mondal and Alessandro Lunghi
• Abstract summary: Paramagnetic defects in diamond and hexagonal boron nitride possess a unique combination of spin and optical properties that make them solid-state qubits. Despite the coherence of these spin qubits being critically limited by spin-phonon relaxation, a full understanding of this process is not yet available. We demonstrate that low-frequency two-phonon modulations of the zero-field splitting are responsible for spin relaxation and decoherence.
• Score: 79.4957965474334
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: Paramagnetic defects in diamond and hexagonal boron nitride possess a unique combination of spin and optical properties that make them prototypical solid-state qubits. Despite the coherence of these spin qubits being critically limited by spin-phonon relaxation, a full understanding of this process is not yet available. Here we apply ab initio spin dynamics simulations to this problem and quantitatively reproduce the experimental temperature dependence of spin relaxation time and spin coherence time. We demonstrate that low-frequency two-phonon modulations of the zero-field splitting are responsible for spin relaxation and decoherence, and point to the nature of vibrations in 2-dimensional materials as the culprit for their shorter coherence time.

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