Li Jing, Yin Lei, Xiong Shi-Jie, Wu Xing-Long, Yu Fei, Ouyang Zhong-Wen, Xia Zheng-Cai, Zhang Yi-Quan, van Tol Johan, Song You, Wang Zhenxing
State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, P. R. China.
Wuhan National High Magnetic Field Center & School of Physics, Huazhong University of Science and Technology, Wuhan 430074, P. R. China.
iScience. 2020 Mar 27;23(3):100926. doi: 10.1016/j.isci.2020.100926. Epub 2020 Feb 20.
Long decoherence time is a key consideration for molecular magnets in the application of the quantum computation. Although previous studies have shown that the local symmetry of spin carriers plays a crucial part in the spin-lattice relaxation process, its role in the spin decoherence is still unclear. Herein, two nine-coordinated capped square antiprism neodymium moieties [Nd(CO)HO] with slightly different local symmetries, C versus C (1 and 2), are reported, which feature in the easy-plane magnetic anisotropy as shown by the high-frequency electron paramagnetic resonance (HF-EPR) studies. Detailed analysis of the relaxation time suggests that the phonon bottleneck effect is essential to the magnetic relaxation in the crystalline samples of 1 and 2. The 240 GHz Pulsed EPR studies show that the higher symmetry results in longer decoherence times, which is supported by the first principle calculations.
长退相干时间是分子磁体在量子计算应用中的一个关键考量因素。尽管先前的研究表明自旋载流子的局部对称性在自旋 - 晶格弛豫过程中起着至关重要的作用，但其在自旋退相干中的作用仍不明确。在此，报道了两个具有稍有不同局部对称性（C 与 C，分别为 1 和 2）的九配位盖帽方形反棱柱钕部分[Nd(CO)HO]，高频电子顺磁共振（HF - EPR）研究表明它们具有易面磁各向异性。对弛豫时间的详细分析表明，声子瓶颈效应对于 1 和 2 的晶体样品中的磁弛豫至关重要。240 GHz 脉冲 EPR 研究表明，更高的对称性导致更长的退相干时间，这得到了第一性原理计算的支持。
