标题： 探测强关联反铁磁体NiPS3在其相变过程中的能带结构 显示英文标题

标题： Probing the band structure of the strongly correlated antiferromagnet NiPS3 across its phase transition

摘要： NiPS3是一种可剥离的范德华层内反铁磁体，具有锯齿状自旋排列。 它与其他TMPS3（TM：过渡金属）材料不同，因其通过光学激发进入一种与磁性性质相关的强关联态。 然而，关于反铁磁相变过程中基本能带结构的相关研究尚未进行。 在这里，我们使用角度分辨光电子能谱，分辨率达到{\mu }m，并结合DFT+U计算来进行研究。 我们发现在TN附近存在特征能带位移。 这归因于与Ni 3t2g轨道的超交换相互作用相关的混合Ni和S特性的能带。 此外，我们在价带顶之上发现了一种角向色散很小的结构，这无法被计算结果再现。 这种差异表明，许多体相互作用的影响超越了DFT+U近似，在显著对比于MnPS3和FePS3的结果，其中这些计算足以进行充分描述。 显示英文摘要

摘要： NiPS3 is an exfoliable van-der-Waals intralayer antiferromagnet with zigzag-type spin arrangement. It is distinct from other TMPS3 (TM: transition metal) materials by optical excitations into a strongly correlated state that is tied to the magnetic properties. However, the related, fundamental band structure across the antiferromagnetic phase transition has not been probed yet. Here, we use angular-resolved photoelectron spectroscopy with {\mu}m resolution in combination with DFT+U calculations for that purpose. We identify a characteristic band shift across TN. It is attributed to bands of mixed Ni and S character related to the superexchange interaction of Ni 3t2g orbitals. Moreover, we find a structure above the valence band maximum with little angular dispersion that could not be reproduced by the calculations. The discrepancy suggests the influence of many-body interactions beyond the DFT+U approximations in striking contrast to the results on MnPS3 and FePS3, where these calculations were sufficient for an adequate description.