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主客体晶体工程调控分子量子器件中的室温自旋动力学

Host-guest Crystal Engineering Tailors the Room Temperature Spin Dynamics in Molecular Quantum Devices

Ziqiu Huang, Angus Cowley-Semple, Irena Nevjestic, Yifan Yu, Mark Oxborrow, Sam L. Bayliss, Sarah K. Mann, Max Attwood

arXiv 2607.16466首次发表:更新:

AI 中文总结

研究利用主客体晶体工程,通过调节晶格刚性和振动耦合,调控分子量子器件的自旋动力学,降低脉泽操作要求,找到全氘代对三联苯中的全氘代并五苯是构建连续波脉泽的最可行候选者,证明该工程对调节室温分子量子技术性能的重要性。

AI 中文摘要

能够在室温下对电子自旋态进行相干控制的分子材料,是量子技术(如量子传感器和超低温噪声微波放大器即脉泽)的有前景候选者。主客体分子晶体能独立控制自旋活性客体及其局部环境以增强分子自旋特性,从而改善器件性能。利用电子顺磁共振和光探测磁共振,通过调节依赖主体的晶格刚性和振动耦合来调谐三重态布居、退布居和自旋晶格弛豫,显著降低构建实用脉泽的操作要求。研究发现最刚性的主体并五苯虽会使应变诱导线宽展宽和三重态自旋极化降低,但能减缓自旋晶格弛豫而不延长三重态寿命,氘化可降低三重态共振线宽和振动介导的三重态退布居。因此,全氘代对三联苯中的全氘代并五苯是构建连续波脉泽最可行的候选者。这项工作证明主客体工程是调节室温分子量子技术自旋相关性能的重要实用方法。

英文摘要

Molecular materials that enable coherent control over an electron's spin state at room temperature are promising candidates for quantum technologies, including quantum sensors and ultra-low noise microwave amplifiers, known as masers. Host-guest molecular crystals enable independent control of spin-active guests and their local environments to enhance molecular spin properties and so improve device performance. Using electron paramagnetic resonance and optically-detected magnetic resonance, we demonstrate the ability to tune triplet population, depopulation, and spin-lattice relaxation by modulating host-dependent lattice rigidity and vibrational coupling to significantly reduce the operating requirements for building useful masers. Importantly, the most rigid host, picene, reveals the ability to slow spin-lattice relaxation without lengthening triplet lifetime, though at the cost of strain-induced line width broadening and reduced triplet spin polarisation. We also find that deuteration reduces the triplet resonance line width and vibrationally-mediated triplet depopulation. Consequently, we find that perdeuterated pentacene in perdeuterated p-terphenyl is the most viable candidate for building a continuous wave maser. This work demonstrates host-guest engineering as an important and practical method for tuning the spin-dependent performance of room-temperature molecular quantum technologies.

Comments12 pages, 7 figures

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