Direct observation of strain-induced orbital valence band splitting in HfSe${}_2$ by sodium intercalation

Abstract

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.

arXiv comment6 pages, 4 figures

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• Potassium-intercalated bulk HfS${}_2$ and HfSe${}_2$: Phase stability, structure, and electronic structure