论文标题
Mn $ _6 $ C contahedra及其对基于MN的Antiperovskites的一阶磁过渡的影响相关的变形
Packing fraction related distortion of Mn$_6$C octahedra and its effect on the first order magnetic transition in Mn based antiperovskites
论文作者
论文摘要
在本文中，我们试图通过在三种Antiperovskite化合物中计算成组成金属原子的K边缘，MN $ _3 $ GAC，MN $ _3 $ _3 $ SNC和MN $ _3 $ _3 $ _3 $ INC，试图通过计算exafs来了解基于MN的Antiperovskites的磁结构转化的原因。尽管存在相似的立方结构，但这三种化合物具有非常不同的磁接地态。我们的计算表明，Mn $ _6 $ c contahedra的扭曲是负责一阶磁性转变向反铁磁状态的，这取决于晶格的包装分数。
In this paper, we attempt to understand the cause of magnetostructural transformation in Mn-based antiperovskites by calculating EXAFS at the K edges of constituent metal atoms in three antiperovskite compounds, Mn$_3$GaC, Mn$_3$SnC and Mn$_3$InC. These three compounds have very different magnetic ground states despite the similar cubic structure. Our calculations show that the distortions of Mn$_6$C octahedra, which are responsible for the first-order magnetic transition to antiferromagnetic state, depends on the packing fraction of the lattice.
