Quantum Monte Carlo Simulations and High‐Field Magnetization Studies of Antiferromagnetic Interactions in a Giant Hetero‐Spin Ring | Zendy

Qin Lei | Zendy; Singleton Jared | Zendy; Chen WeiPeng | Zendy; Nojiri Hiroyuki | Zendy; Engelhardt Larry | Zendy; Winpenny Richard E. P. | Zendy; Zheng YanZhen | Zendy

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Quantum Monte Carlo Simulations and High‐Field Magnetization Studies of Antiferromagnetic Interactions in a Giant Hetero‐Spin Ring

Author(s) -

Qin Lei,

Singleton Jared,

Chen WeiPeng,

Nojiri Hiroyuki,

Engelhardt Larry,

Winpenny Richard E. P.,

Zheng YanZhen

Publication year - 2017

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201709650

Subject(s) - antiferromagnetism , magnetization , condensed matter physics , quantum monte carlo , ground state , monte carlo method , spin (aerodynamics) , physics , lanthanide , field (mathematics) , chromium , exchange interaction , quantum , materials science , magnetic field , ferromagnetism , atomic physics , quantum mechanics , thermodynamics , ion , statistics , mathematics , pure mathematics , metallurgy

Chromium lanthanide heterometallic wheel complexes {Cr 8 Ln 8 } (Ln=Gd, Dy and Y) with alternating metal centres are presented. Quantum Monte Carlo simulations reveal antiferromagnetic exchange‐coupling constants with an average of 2.1 K within the {Cr 8 Gd 8 } wheel, which leads to a large ground spin state ( S T =16) that is confirmed by magnetization studies up to 20 Tesla. The {Cr 8 Dy 8 } wheel is a single‐molecule magnet.

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