具有两种三角基元的Na$_3$RuO$_4$中的几何阻挫与非公度磁有序
Geometrical frustration and incommensurate magnetic order in Na$_3$RuO$_4$ with two triangular motifs
AI总结：
本文通过中子衍射与ab initio计算揭示了自旋3/2反铁磁体Na$_3$RuO$_4$中的非公度磁有序，发现其晶体结构包含两种三角基元，并证明四聚体间的长程Ru-O-O-Ru耦合是导致几何阻挫与非公度磁结构的关键因素。
摘要：
通过中子衍射结合ab initio计算，揭示了自旋3/2反铁磁体Na$_3$RuO$_4$中的非公度磁有序。Na$_3$RuO$_4$的晶体结构在不同长度尺度上包含两种三角基元。磁性Ru$^{5+}$离子形成菱形（钻石）构型，其四聚体由两个等腰三角形组成。这些四聚体进一步排列成层，从而形成有效的三角晶格。四聚体间近乎反铁磁，但其间的阻挫导致了由传播矢量$\vec{k}=(0.242(1), 0, 0.313(1))$描述的非公度调制磁结构。我们证明四聚体间的长程Ru-O-O-Ru耦合在Na$_3$RuO$_4$中起主要作用，并提出若将四聚体视为单格点，可用空间各向异性三角晶格进行有效描述。
英文摘要：
Incommensurate magnetic order in the spin-3/2 antiferromagnet Na$_3$RuO$_4$ is uncovered by neutron diffraction combined with ab initio calculations. The crystal structure of Na$_3$RuO$_4$ contains two triangular motifs on different length scales. The magnetic Ru$^{5+}$ ions form a lozenge (diamond) configuration, with tetramers composed of two isosceles triangles. These tetramers are further arranged in layers, such that an effective triangular lattice is formed. The tetramers are nearly antiferromagnetic but frustration between them leads to an incommensurately modulated magnetic structure described by the propagation vector $\vec{k}=(0.242(1), 0, 0.313(1))$. We show that the long-range Ru-O-O-Ru couplings between the tetramers play a major role in Na$_3$RuO$_4$ and suggest an effective description in terms of the spatially anisotropic triangular lattice if the tetramers are treated as single sites.
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