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arXiv 1004.5461cond-mat.mes-hallphysics.comp-ph
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单分子磁体自旋反转和非平衡磁化的动力学Monte Carlo研究

Dynamical Monte Carlo investigation of spin reversals and nonequilibrium magnetization of single-molecule magnets

Gui-Bin Liu, Bang-Gui Liu

摘要:

在本文中,我们结合热效应和Landau-Zener(LZ)量子隧穿效应在一个动态的Monte Carlo(DMC)框架,产生令人满意的磁化曲线的单分子磁体(SMM)系统。我们使用巨自旋近似的SMM自旋,并考虑定期晶格的SMM磁偶极相互作用(MDI)。我们计算自旋反转概率从热激活势垒跨越,直接LZ隧穿,和热辅助LZ隧穿在扫描磁场的存在下。我们做了系统的DMC模拟Mn $_{12}$系统与不同的温度和扫描速率。我们的模拟结果在低温磁化曲线中产生了明显的台阶结构,并且我们的结果表明,在3 K附近的高温下,热激活势垒跨越成为主导,而在中温下,热辅助隧穿起着重要的作用。这些与在易磁化轴和施加的磁场之间存在小的错位的情况下在良好的Mn $_{12}$样品(具有较少的无序)上的相应实验结果一致,因此我们的磁化曲线是令人满意的。此外,我们的DMC计算结果表明,在热效应的作用下,MDI对LZ隧穿过程有重要影响,但当温度接近3 K时,MDI和LZ隧穿在决定磁化曲线时都让位于热激活势垒跨越效应.这种DMC方法可以应用于其他SMM系统,并可用于研究SMM系统的其他性质。

英文摘要:

In this paper, we combine thermal effects with Landau-Zener (LZ) quantum tunneling effects in a dynamical Monte Carlo (DMC) framework to produce satisfactory magnetization curves of single-molecule magnet (SMM) systems. We use the giant spin approximation for SMM spins and consider regular lattices of SMMs with magnetic dipolar interactions (MDI). We calculate spin reversal probabilities from thermal-activated barrier hurdling, direct LZ tunneling, and thermal-assisted LZ tunnelings in the presence of sweeping magnetic fields. We do systematical DMC simulations for Mn$_{12}$ systems with various temperatures and sweeping rates. Our simulations produce clear step structures in low-temperature magnetization curves, and our results show that the thermally activated barrier hurdling becomes dominating at high temperature near 3K and the thermal-assisted tunnelings play important roles at intermediate temperature. These are consistent with corresponding experimental results on good Mn$_{12}$ samples (with less disorders) in the presence of little misalignments between the easy axis and applied magnetic fields, and therefore our magnetization curves are satisfactory. Furthermore, our DMC results show that the MDI, with the thermal effects, have important effects on the LZ tunneling processes, but both the MDI and the LZ tunneling give place to the thermal-activated barrier hurdling effect in determining the magnetization curves when the temperature is near 3K. This DMC approach can be applicable to other SMM systems, and could be used to study other properties of SMM systems.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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