| Autor: |
Junrong Zhang, Lunhua He, Huibo Cao, Fangwei Wang, Panlin Zhang |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 4/21/2008, Vol. 128 Issue 15, p154711, 5p, 1 Diagram, 1 Chart, 3 Graphs |
| Abstrakt: |
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. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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