Magnetic exchange couplings in the single-molecule magnet of Mn12 -Ac

Junrong Zhang; Lunhua He; Huibo Cao; Fangwei Wang; Panlin Zhang

doi:10.1063/1.2905217

Magnetic exchange couplings in the single-molecule magnet of Mn12 -Ac

Junrong Zhang, Lunhua He, Huibo Cao, Fangwei Wang, Panlin Zhang

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9 Scopus citations

Abstract

Four types of isotropic exchange interactions of Mn12 -Ac are obtained by using the classical Monte Carlo simulations. The equilibrium susceptibilities are well reproduced in the temperature range between 10 and 100 K. The calculated effective spin at 0.1 K coincides with the ground-state spin. Our results show that J1 and J2 are strong antiferromagnetic, but the magnitude of J2 is much smaller than that of J1. Both J3 and J4 favor weakly antiferromagnetic couplings. The effects of the exchange couplings on the magnetic properties and ground-state spin are investigated too. The magnetic susceptibilities below 100 K depend more on J2 rather than on the stronger J1. The weak exchange couplings J3 and J4 have significant frustration effects on the ground-state configuration.

Original language	English
Article number	154711
Journal	Journal of Chemical Physics
Volume	128
Issue number	15
DOIs	https://doi.org/10.1063/1.2905217
State	Published - 2008
Externally published	Yes

Funding

The authors thank Qiwei Yan and Wen Yin for valuable discussions. This work was supported by the National Natural Science Foundation of China (Grant Nos. 10505029 and 10375088).

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title = "Magnetic exchange couplings in the single-molecule magnet of Mn12 -Ac",

abstract = "Four types of isotropic exchange interactions of Mn12 -Ac are obtained by using the classical Monte Carlo simulations. The equilibrium susceptibilities are well reproduced in the temperature range between 10 and 100 K. The calculated effective spin at 0.1 K coincides with the ground-state spin. Our results show that J1 and J2 are strong antiferromagnetic, but the magnitude of J2 is much smaller than that of J1. Both J3 and J4 favor weakly antiferromagnetic couplings. The effects of the exchange couplings on the magnetic properties and ground-state spin are investigated too. The magnetic susceptibilities below 100 K depend more on J2 rather than on the stronger J1. The weak exchange couplings J3 and J4 have significant frustration effects on the ground-state configuration.",

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T1 - Magnetic exchange couplings in the single-molecule magnet of Mn12 -Ac

AU - Zhang, Junrong

AU - He, Lunhua

AU - Cao, Huibo

AU - Wang, Fangwei

AU - Zhang, Panlin

PY - 2008

Y1 - 2008

N2 - Four types of isotropic exchange interactions of Mn12 -Ac are obtained by using the classical Monte Carlo simulations. The equilibrium susceptibilities are well reproduced in the temperature range between 10 and 100 K. The calculated effective spin at 0.1 K coincides with the ground-state spin. Our results show that J1 and J2 are strong antiferromagnetic, but the magnitude of J2 is much smaller than that of J1. Both J3 and J4 favor weakly antiferromagnetic couplings. The effects of the exchange couplings on the magnetic properties and ground-state spin are investigated too. The magnetic susceptibilities below 100 K depend more on J2 rather than on the stronger J1. The weak exchange couplings J3 and J4 have significant frustration effects on the ground-state configuration.

AB - Four types of isotropic exchange interactions of Mn12 -Ac are obtained by using the classical Monte Carlo simulations. The equilibrium susceptibilities are well reproduced in the temperature range between 10 and 100 K. The calculated effective spin at 0.1 K coincides with the ground-state spin. Our results show that J1 and J2 are strong antiferromagnetic, but the magnitude of J2 is much smaller than that of J1. Both J3 and J4 favor weakly antiferromagnetic couplings. The effects of the exchange couplings on the magnetic properties and ground-state spin are investigated too. The magnetic susceptibilities below 100 K depend more on J2 rather than on the stronger J1. The weak exchange couplings J3 and J4 have significant frustration effects on the ground-state configuration.

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JO - Journal of Chemical Physics

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Magnetic exchange couplings in the single-molecule magnet of Mn12 -Ac

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