Premium
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
Abstract 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.