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arXiv · 2012.06141

Slow Spin Relaxation in Single Endohedral Fullerene Molecules

Jie Li·Lei Gu·Ruqian Wu
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Abstract

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.

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Jie Li, Lei Gu, Ruqian Wu. 2021-12-01. Slow Spin Relaxation in Single Endohedral Fullerene Molecules. https://doi.org/10.1103/physrevb.104.224431

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