Nabi Rizwan, Atkinson Benjamin E, Staab Jakob K, Skelton Jonathan M, Chilton Nicholas F
Department of Chemistry, The University of Manchester, Manchester, M13 9PL, UK.
Research School of Chemistry, The Australian National University, Canberra, ACT, 2601, Australia.
Chem Commun (Camb). 2024 Nov 21;60(94):13915-13918. doi: 10.1039/d4cc03768e.
Developing molecular spin technologies requires microscopic knowledge of their spin-dynamics. Calculation of phonon modes, phonon scattering and spin-phonon coupling for a dysprosocenium single-molecule magnet (SMM) give simulations of spin-dynamics that agree with experiment. They show that low-energy phonon scattering is a significant contribution to the high-performance of dysprosocenium SMMs.
开发分子自旋技术需要对其自旋动力学有微观层面的了解。对镝单分子磁体（SMM）的声子模式、声子散射和自旋 - 声子耦合进行计算，所得出的自旋动力学模拟结果与实验相符。结果表明，低能声子散射对镝单分子磁体的高性能有显著贡献。
