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首页> 外文期刊>Computational Materials Science >Computational investigations of the magnetic properties of the V _(15) magnetic molecular nanocluster model in strong magnetic fields by the Monte Carlo method
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Computational investigations of the magnetic properties of the V _(15) magnetic molecular nanocluster model in strong magnetic fields by the Monte Carlo method

机译:V _(15)磁性分子纳米团簇模型在强磁场中的蒙特卡罗方法的磁性研究

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摘要

In the work, the exchange interactions in V_(15) magnetic molecular nanoclusters are examined. The magnetization reversal process is investigated at various values of exchange constant set by means of the Monte-Carlo method. It is shown, that the most exact agreement with experimental results of the field dependence of susceptibility is observed in the following set of exchange interaction constants in the V_(15) magnetic molecular nanocluster: J = 500 K, J′ = 150 K, J″ = 225 K, J_1 = 50 K, J_2 = 50 K. For the first time, the heat capacity reveals by two maxima located in close proximity at each three transitions from low-spin state into the high-spin behavior.
机译:在工作中,研究了V_(15)磁性分子纳米簇中的交换相互作用。通过蒙特卡洛方法研究了在各种交换常数值下的磁化反转过程。结果表明,在V_(15)磁性分子纳米簇中的以下交换相互作用常数集中观察到与磁化率场依赖性实验结果最精确的一致性:J = 500 K,J'= 150 K,J ” = 225 K,J_1 = 50 K,J_2 = 50K。这是第一次,在从低旋转状态到高旋转行为的每三个转换中,两个最大值都非常接近。

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