Magnetic structure and preferential occupation of Fe in the composite compound Nd_2Co_6Fe

Yang Y.; Wang T.; Li G.N.; Huang Q.; Gao Q.Q.; Li J.B.; Liu G.Y.; Luo J.; Rao G.H.

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Magnetic structure and preferential occupation of Fe in the composite compound Nd_2Co_6Fe

机译：复合材料Nd_2Co_6Fe中Fe的磁性结构和优先占有

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The crystal and magnetic structures of the composite compound Nd _2Co_6Fe have been investigated by high-resolution neutron powder diffraction and X-ray powder diffraction. The compound crystallizes in the hexagonal Ce_2Ni_7-type structure consisting of Nd(Co,Fe)_2 and Nd(Co,Fe)_5 structural blocks alternately stacked along the c-axis. Multi-pattern Rietveld refinement of neutron diffraction and X-ray diffraction data at room temperature reveal that substitution of Fe for Co occurs exclusively in the Nd(Co,Fe)_5 structural blocks. The preferential occupation of the Fe atoms in the structure is discussed based on the mixing enthalpy between Nd and Fe atoms and on the lattice distortions. In agreement with the reported magnetic phase diagram of the Nd_2Co_(7-x)Fe_x compounds, magnetic structure models with the moments of all atoms in the ab plane at 300 K and along the c-axis at 450 K provide a satisfactory fitting to the experimental neutron diffraction data. The refinement results show that the atomic moments of (Co,Fe) atoms within the Nd(Co,Fe)_5 blocks decrease slightly with temperature, whereas the atomic moments of Nd in the compound and of (Co,Fe) atoms at the interface between the Nd(Co,Fe)_2 and Nd(Co,Fe) _5 blocks are reduced significantly.

机译：通过高分辨率中子粉末衍射和X射线粉末衍射研究了复合化合物Nd _2Co_6Fe的晶体和磁性结构。该化合物结晶为六边形的Ce_2Ni_7型结构，该结构由沿c轴交替堆积的Nd（Co，Fe）_2和Nd（Co，Fe）_5结构块组成。室温下中子衍射和X射线衍射数据的多模式Rietveld精炼显示，Fe替代Co仅在Nd（Co，Fe）_5结构嵌段中发生。基于Nd和Fe原子之间的混合焓以及晶格畸变，讨论了Fe原子在结构中的优先占据。与已报道的Nd_2Co_（7-x）Fe_x化合物的磁相图一致，ab结构中所有原子的矩在300 K处并沿c轴在450 K处的磁结构模型为该结构提供了令人满意的拟合实验中子衍射数据。细化结果表明，Nd（Co，Fe）_5嵌段中的（Co，Fe）原子的原子矩随温度而略有降低，而化合物中Nd和（Co，Fe）原子的原子矩在界面处Nd（Co，Fe）_2和Nd（Co，Fe）_5块之间的间距显着降低。

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来源
《Physica, B. Condensed Matter》 |2011年第10期|共5页
作者
Yang Y.; Wang T.; Li G.N.; Huang Q.; Gao Q.Q.; Li J.B.; Liu G.Y.; Luo J.; Rao G.H.;
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正文语种 eng
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Crystal structure; Fe occupation; Magnetic structure; Nd_2Co_6Fe; Neutron powder diffraction;

机译：晶体结构;铁占据;磁性结构;Nd_2Co_6Fe;中子粉末衍射;

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Magnetic structure and preferential occupation of Fe in the composite compound Nd_2Co_6Fe

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