论文标题
Van der Waals铁磁绝缘子的价带电子结构:vi $ _3 $和cri $ _3 $
Valence band electronic structure of the van der Waals ferromagnetic insulators: VI$_3$ and CrI$_3$
论文作者
论文摘要
铁磁范德华(VDW)绝缘子对其在旋转中的有希望的应用具有极大的科学兴趣。已经表明,在此类中的两种材料中,CRI $ _3 $和VI $ _3 $,磁性接地状态,带隙,而费米水平可以通过改变层厚度,应变或掺杂来操纵。要了解这些因素如何影响属性,需要对电子结构有详细的了解。但是,这些材料的电子结构的实验研究仍然非常稀疏。在这里,我们介绍了CRI $ _3 $和VI $ _3 $的详细电子结构,该结构通过角度分辨光发射光谱(ARPES)测量。我们的结果表明,1 eV阶的带隙与某些理论预测(例如半金属性和金属相)形成了鲜明的对比,表明在计算中未正确考虑原子内相互作用参数(U)和自旋轨道耦合(SOC)(SOC)。尽管晶体结构有相似之处,但我们还发现,这两种材料的电子特性有显着差异。在CRI $ _3 $中,Valence频段最大值由I 5 {\ it P}主导,而在VI $ _3 $中,它由V 3 {\ it D}派生的状态主导。我们的结果代表了有价值的输入,以进一步改进这些系统的理论建模。
Ferromagnetic van der Waals (vdW) insulators are of great scientific interest for their promising applications in spintronics. It has been indicated that in the two materials within this class, CrI$_3$ and VI$_3$, the magnetic ground state, the band gap, and the Fermi level could be manipulated by varying the layer thickness, strain or doping. To understand how these factors impact the properties, a detailed understanding of the electronic structure would be required. However, the experimental studies of the electronic structure of these materials are still very sparse. Here, we present the detailed electronic structure of CrI$_3$ and VI$_3$ measured by angle-resolved photoemission spectroscopy (ARPES). Our results show a band-gap of the order of 1 eV, sharply contrasting some theoretical predictions such as Dirac half-metallicity and metallic phases, indicating that the intra-atomic interaction parameter (U) and spin-orbit coupling (SOC) were not properly accounted for in the calculations. We also find significant differences in the electronic properties of these two materials, in spite of similarities in their crystal structure. In CrI$_3$, the valence band maximum is dominated by the I 5{\it p}, whereas in VI$_3$ it is dominated by the V 3{\it d} derived states. Our results represent valuable input for further improvements in the theoretical modeling of these systems.