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Intertwined electronic and magnetic structure of the van-der-Waals antiferromagnet Fe2P2S6
npj Quantum Materials ( IF 5.7 ) Pub Date : 2023-05-29 , DOI: 10.1038/s41535-023-00560-z
A. Koitzsch, T. Klaproth, S. Selter, Y. Shemerliuk, S. Aswartham, O. Janson, B. Büchner, M. Knupfer

Many unusual and promising properties have been reported recently for the transition metal trichalcogenides of the type MPS3 (M = V, Mn, Fe, Ni ...), such as maintaining magnetic order to the atomically thin limit, ultra-sharp many-body excitons, metal-insulator transitions and, especially for Fe2P2S6, giant linear dichroism among others. Here we conduct a detailed investigation of the electronic structure of Fe2P2S6 using angle-resolved photoemission spectroscopy, q-dependent electron energy loss spectroscopy, optical spectroscopies and density functional theory. Fe2P2S6 is a Mott insulator with a gap of Egap ≈ 1.4 eV and zigzag antiferromagnetism below TN = 119 K. The low energy excitations are dominated by Fe 3d states. Large and sign-changing linear dichroism is observed. We provide a microscopic mechanism explaining key properties of the linear dichroism based on the correlated character of the electronic structure, thereby elucidating the nature of the spin-charge coupling in Fe2P2S6 and related materials.



中文翻译:

范德瓦尔斯反铁磁体 Fe2P2S6 的交织电子和磁结构

最近报道了M PS 3型过渡金属三硫化物(M  = V、Mn、Fe、Ni ...)的许多不寻常和有前途的特性,例如将磁序保持在原子薄极限、超尖锐许多-体激子、金属-绝缘体跃迁,尤其是对于 Fe 2 P 2 S 6、巨线性二色性等。在这里,我们使用角分辨光电子能谱、q相关电子能量损失谱、光谱学和密度泛函理论对Fe 2 P 2 S 6的电子结构进行了详细研究。铁2P 2 S 6是莫特绝缘体,具有E间隙≈ 1.4 eV的间隙和低于T N = 119 K 的锯齿形反铁磁性。 低能激发由 Fe 3 d态主导。观察到大的和符号变化的线性二色性。我们基于电子结构的相关特征提供了解释线性二色性关键性质的微观机制,从而阐明了 Fe 2 P 2 S 6和相关材料中自旋电荷耦合的性质。

更新日期:2023-05-29
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