范德华铁磁绝缘体VI $_3$和CrI $_3$的价带电子结构
Valence band electronic structure of the van der Waals ferromagnetic insulators: VI$_3$ and CrI$_3$
摘要：
铁磁范德华绝缘体在自旋电子学中有着广泛的应用前景，因而引起了人们的极大兴趣。已经表明，在这类材料中的两种材料CrI $_3$和VI $_3$中，可以通过改变层厚度、应变或掺杂来操纵磁性基态、带隙和费米能级。要了解这些因素如何影响性能，需要详细了解电子结构。然而，这些材料的电子结构的实验研究仍然非常稀少。在这里，我们提出了详细的电子结构的CrI $_3$和VI $_3$测量角分辨光电子能谱（ARPES）。我们的研究结果表明，带隙的顺序为1 eV，尖锐对比的一些理论预测，如狄拉克半金属性和金属相，表明原子内相互作用参数（U）和自旋轨道耦合（SOC）没有适当占在计算中。我们还发现这两种材料的电子性质的显着差异，尽管在它们的晶体结构的相似性。在CrI $_3$中，价带最大值由I 5{ \it p}主导，而在VI $_3$中，它由V 3{ \it d}衍生态主导。我们的研究结果为进一步改进这些系统的理论建模提供了有价值的投入。
英文摘要：
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.
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