砷酸盐Cu4O（AsO4）2和同型磷酸盐Cu4O（PO4）2的正交和三斜晶变体：强阻挫反铁磁性
Orthorhombic and triclinic modifications of the arsenate Cu4O(AsO4)2 and isotypic phosphates Cu4O(PO4)2: strongly frustrated antiferromagnetics
摘要：
建立了砷酸盐Cu_4O（AsO_4）_2和同型磷酸盐Cu_4O（PO_4）_2的正交和三斜结构的结构-磁性模型，并进行了分析。它们的基元是由反铁磁Cu_4四面体组成的复杂带。在结构上，这些四面体没有共享的铜原子;然而，它们之间有很强的反铁磁（AFM）和铁磁（FM）耦合，无论是在复杂的带内还是它们之间。它已被确定，这两种修改强烈受挫的3-D反铁磁性，由于最近的AFM相互作用之间的竞争沿Cu 4四面体的边缘和相互作用之间的竞争和多种长程二次AFM和FM相互作用。此外，大量较弱的长程相互作用相互竞争。然而，在中心对称斜方晶变型（Pnma）中存在有序Dzyaloshinskiii-Moriya（DM）相互作用的可能性，因为三种类型的磁性离子中的两种，Cu 1和Cu 3，在部分位置4c中，离子不与反转中心相关。在三斜晶系（P-1）的Cu_4 O（As（P）O_4）_2中，四个铜离子都位于中心对称的等价位置2 i，这阻止了DM相互作用。这种中心对称性将允许Cu 4 O（As（P）O 4）2的三斜变体中的磁相互作用在较低温度下仍然受到抑制。这些化合物的三斜变体可能是量子自旋液体。
英文摘要：
A structural-magnetic models of the orthorhombic and triclinic modifications of the arsenates Cu4O(AsO4)2 and isotypic phosphates Cu4O(PO4)2 has been built and analyzed. Their base elements are the complicated ribbons composed of antiferromagnetic Cu4 tetrahedra. Structurally, these tetrahedra have no shared copper atoms; however, there are strong antiferromagnetic (AFM) and ferromagnetic (FM) couplings between them, both within the complicated ribbons and between them. It has been established that both modifications are strongly frustrated 3-D antiferromagnetics due to competition between the nearest AFM interactions along the edges of the Cu4 tetrahedra and competition between interactions and a multiplicity of long-range secondary AFM and FM interactions. Additionally, a large number of weaker long-range interactions are competing among each other. However, there is a possibility of the ordering Dzyaloshinskii-Moriya (DM) interaction in the centrosymmetric orthorhombic modification (Pnma), because two of the three types of magnetic ions, Cu1 and Cu3, are in the partial position 4c, where the ions are not related by the inversion center. In the triclinic modification (P -1) of Cu4O(As(P)O4)2, all four copper ions are in the centrosymmetric equivalent position 2i, which prevents DM interactions. This centrosymmetry will allow magnetic interactions in the triclinic modification of Cu4O(As(P)O4)2 to be still frustrated at lower temperature. It is possible that the triclinic modification of these compounds is a quantum spin liquid.
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