论文标题
单个内膜富勒烯分子中的慢自旋松弛
Slow Spin Relaxation in Single Endohedral Fullerene Molecules
论文作者
论文摘要
在旋转和量子信息技术中使用磁分子，需要良好保护的磁化，可调量子状态和较长的相干时间。在这项工作中，通过系统的第一原理计算和自旋动力学分析探索了具有不同过渡金属核心的内hed富富分子M@C28。其中许多具有稳定的磁化，巨大的磁各向异性能量和可调结构。特别是，在完全考虑自旋振动耦合后，其中一些在高温（〜10K）处的量子自旋状态可能具有连贯的时间，直到几毫秒。这些结果表明，这些m@c28为开发单分子磁体，磁分子连接和分子量子比提供了丰富的池。
Well-protected magnetization, tunable quantum states and long coherence time are desired for the use of magnetic molecules in spintronics and quantum information technologies. In this work, endohedral fullerene molecules M@C28 with different transition metal cores were explored through systematic first-principles calculations and spin dynamics analyses. Many of them have stable magnetization, giant magnetic anisotropy energy and bias-tunable structure. In particular, some of them may have coherence time up to several milliseconds for their quantum spin states at high temperature (~10K) after full consideration of spin-vibration couplings. These results suggest that these M@C28 provide a rich pool for the development of single-molecule magnets, magnetic molecular junctions, and molecular qubits.
