用矩阵法拟合新磁性材料的耦合参数J及朗道因子g  

Apply Matrix Method to Fit Coupling Parameter J and Landau Factor g of a New Magnetic Material

作　　者：冯晓霞 

机构地区：[1]山西综合职业技术学院,山西太原030006

出　　处：《山西师范大学学报（自然科学版）》2009年第2期58-61,共4页Journal of Shanxi Normal University(Natural Science Edition)

摘　　要：对于已制备的新磁性材料,考虑到其分子中不同位置磁性原子间的自旋相互作用能量及塞曼能,用矩阵法通过LAPACK软件包实现精确对角化求解其哈密顿量得出了配分函数,并应用Monte Carlo方法采用随机行走计算出磁化率,χ通过与实验中测定的结果进行数值拟合,可得到材料的耦合参数J及朗道因子g,为磁性物理及分子化学中研究此类问题提供了一种更精确可靠的数值计算方法.For the new magnetic material prepared in experiment, the energy consists of the spin interactions between magnetic atoms at different position of molecule and its Zeeman energy in magnetic field. We apply LAPACK programs to solve the partition function by exact diagonalization of the Hamihonian to calculate magnetic susceptibility X- By using Monte Carlo Random Walks method to fit with the data measured in experiment, we can get the coupled parameter J and Lande factor g. And we provide a more accurate and reliable numerical simulation method for such aspects of Magnetism Physics and Molecular Chemistry.

关 键 词：新磁性材料 磁化机制 矩阵法 LAPACK MonteCarlo方法 

分 类 号：O482.54[一般工业技术—材料科学与工程] O411.3[理学—固体物理]