钠嵌入HfSe $_2$中应变诱导轨道价带分裂的直接观察
Direct observation of strain-induced orbital valence band splitting in HfSe$_2$ by sodium intercalation
摘要：
利用角分辨光电子能谱（ARPES）研究了钠离子插入HfSe $_2$后电子结构的变化。我们观察到这如何驱动的p-轨道价带和间接带隙的值分别高达400和280毫电子伏的同时减少带分裂。我们的计算表明，这种行为是由带变形势，这是我们观察到的各向异性应变引起的钠嵌入的结果。基于密度泛函理论的单轴应变计算结果与实验结果吻合较好。这些发现应有助于研究掺杂和应变之间的物理关系，以及大规模的二维应变电子学。
英文摘要：
By using angle-resolved photoemission spectroscopy (ARPES), the variation of the electronic structure of HfSe$_2$ has been studied as a function of sodium intercalation. We observe how this drives a band splitting of the p-orbital valence bands and a simultaneous reduction of the indirect band gap by values of up to 400 and 280 meV respectively. Our calculations indicate that such behaviour is driven by the band deformation potential, which is a result of our observed anisotropic strain induced by sodium intercalation. The applied uniaxial strain calculations based on density functional theory (DFT) agree strongly with the experimental ARPES data. These findings should assist in studying the physical relationship between doping and strain, as well as for large-scale two-dimensional straintronics.
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