Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment
Complex Magnetism of Lanthanide Intermetallics and the Role of their Valence Electrons: Ab Initio Theory and Experiment
复制标题
镧系金属间化合物的复杂磁性及其价电子的作用：从头算理论与实验
DOI：
10.1103/physrevlett.115.207201
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发表时间：
2015
影响因子：
8.6
通讯作者：
Petit L
中科院分区：
文献类型：
--
作者：
Petit L
我们使用从头电子结构理论解释了一些技术相关的钆金属间化合物的磁相互作用的深刻复杂性，其中包括无序的局部矩和强电子相关。该理论正确地发现GdZn和GdCd是简单的铁磁体，并预测了当GdCd的压力为时居里温度会显著升高，实验测量证实了这一点。此外，我们还发现了GdMg中铁磁-反铁磁竞争的起源，表现为低温下的非共线、倾斜磁序。用Zn取代35%的Mg原子可以消除这种转变，这与长期存在的实验数据非常吻合。
We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using anab initioelectronic structure theory which includes disordered local moments and strong-electron correlations. The theory correctly finds GdZn and GdCd to be simple ferromagnets and predicts a remarkably large increase of Curie temperature with a pressure offor GdCd confirmed by our experimental measurements of. Moreover, we find the origin of a ferromagnetic-antiferromagnetic competition in GdMg manifested by noncollinear, canted magnetic order at low temperatures. Replacing 35% of the Mg atoms with Zn removes this transition, in excellent agreement with long-standing experimental data.