Ferromagnetism in the beta-manganese structure: Fe1.5Pd0.5Mo3N
Ferromagnetism in the beta-manganese structure: Fe1.5Pd0.5Mo3N
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β-锰结构中的铁磁性：Fe1.5Pd0.5Mo3N
DOI：
10.1088/0953-8984/16/13/008
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发表时间：
2004
期刊：
影响因子：
--
通讯作者：
P. Battle
中科院分区：
文献类型：
--
作者：
T. Prior;D. Nguyen;Victoria J. Couper;P. Battle
本文报道了具有填充-锰结构的化合物结晶中铁磁性的第一个例子。磁强计和中子衍射表明，Fe1.5Pd0.5Mo3N在160 K以下具有铁磁性，饱和磁化强度为2.44 μB/公式单位，与Fe/Pd亚晶格有关。在密度泛函理论下进行的自洽自旋极化电子结构计算预测，在T = 0 K时，平均磁矩为2.93 μB/公式单位。这一力矩表明是在Fe场址上满足局部斯通纳判据的结果。
The first example of ferromagnetism in a compound crystallizing with the filled beta-manganese structure is reported. Magnetometry and neutron diffraction show that Fe1.5Pd0.5Mo3N is ferromagnetic below 160 K, with a saturation magnetization of 2.44 μB/formula unit which is associated with the Fe/Pd sublattice. Self-consistent spin-polarized electronic structure calculations, performed within density functional theory, predict an average magnetic moment of 2.93 μB/formula unit at T = 0 K. The moment is shown to be a result of the fulfilment of a local Stoner criterion on the Fe sites.