Slow spin relaxation in single endohedral fullerene molecules

Li, Jie; Gu, Lei; Wu, Ruqian

doi:10.1103/physrevb.104.224431

Title: Slow spin relaxation in single endohedral fullerene molecules

Journal Article · 27 December 2021 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.104.224431 · OSTI ID:1979687

^[1]; Gu, Lei ^[2];

^[2]

Univ. of California, Irvine, CA (United States); OSTI
Univ. of California, Irvine, CA (United States)

Well-protected magnetization, tunable quantum states, and long spin-relaxation 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 bias-tunable structure, stable magnetization, and sizable magnetic anisotropy energy. Furthermore, some of them may have spin-relaxation time up to several milliseconds for their quantum spin states at high temperature (~10 K) after full consideration of spin-vibration couplings. In conclusion, our results suggest that these M@C₂₈ provide a rich pool of single-molecule magnets for diverse applications.

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Research Organization:: Univ. of California, Irvine, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019448

OSTI ID:: 1979687

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 22 Vol. 104; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Slow spin relaxation in single endohedral fullerene molecules

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