Packing fraction related distortion of Mn$_6$C octahedra and its effect on the first order magnetic transition in Mn based antiperovskites

双轴应变对抗反钙钛矿 Mn$_{3}$GaN 阳离子八面体旋转和磁结构的影响

Effect of Biaxial Strain on Cation Octahedral Rotations and Magnetic Structure of the Antiperovskite Mn$_{3}$GaN

该研究利用密度泛函理论计算 -5% 至 5% 双轴应变下 Mn$_{3}$GaN 的磁结构与电子响应，揭示其通过键长和 Mn d 态电荷重排而非八面体倾转适应应变。

四方反反石墨结构Mn$_3$GeN中的铁磁有序

Ferrimagnetic Order in Tetragonal Antiperovskite Mn$_3$GeN

研究揭示四方反反石墨结构Mn$_3$GeN中源于扭曲kagome晶格的铁磁有序，通过磁性耦合和结构畸变的相互作用展现独特的磁性行为。

Modulations in magnetostructural coupling in C and Sn deficient Mn$_3$SnC

The structural and magnetic interactions in stoichiometric (Mn$_3$SnC), carbon deficient (Mn$_3$SnC$_{0.8}$) and tin deficient (Mn$_3$Sn$_{0.85}$C) antiperovskite compounds are studied using x-ray absorption fine structure spectroscopy and neutron diffraction. The study confirms the presence of local structural distortions only around Mn atoms in the antiperovskite compounds irrespective of their stoichiometry. The distortions in the Mn$_6$C octahedra are such that only Mn atoms are displaced from their crystallographic positions resulting in long and short Mn-Mn bonds. These long and short Mn…

手性反铁磁反钙钛矿Mn$_3$NiN中的阴离子镍与氮效应

Anionic nickel and nitrogen effects in the chiral antiferromagnetic antiperovskite Mn$_3$NiN

本研究基于DFT第一性原理计算，探究手性反铁磁反钙钛矿Mn$_3$NiN中氮位点效应，发现氮空位提升反常霍尔电导率且保留手性反铁磁有序，揭示Ni负、Mn正氧化态的特殊规律，并推广至Mn₃BN体系，为过渡金属负氧化态研究提供理想平台。

Fragmented spin ice and multi-$k$ ordering in rare-earth antiperovskites

We study near-neighbour and dipolar Ising models on a lattice of corner-sharing octahedra. In an extended parameter range of both models, frustration between antiferromagnetism and a spin-ice-like three-in-three-out rule stabilises a Coulomb phase with correlated dipolar and quadrupolar spin textures, both yielding distinctive neutron-scattering signatures. Strong further-neighbour perturbations cause the two components to order independently, resulting in unusual multi-$k$ orders. We propose experimental realisations of our model in rare-earth antiperovskites.

反铁磁序与锂扩散在抗铁氧体锂离子电池材料（Li$_2$Fe）SO和（Li$_2$Fe）SeO的1/3填满的kagome层中

Magnetic order and Li-diffusion in the 1/3-filled Kagome layers of antiperovskite Lithium-ion battery materials (Li$_2$Fe)SO and (Li$_2$Fe)SeO

研究了抗铁氧体锂离子电池材料中kagome层的反铁磁序与锂扩散，揭示了其磁序行为及离子扩散动力学。