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Broken Screw Rotational Symmetry in the Near-Surface Electronic Structure of AB-Stacked Crystals

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arxiv 2308.00999 v3 pith:JG3UOBG3 submitted 2023-08-02 cond-mat.mtrl-sci

Broken Screw Rotational Symmetry in the Near-Surface Electronic Structure of AB-Stacked Crystals

classification cond-mat.mtrl-sci
keywords electronicnear-surfacestructurearpesmathrmphotoemissionbandbroken
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We investigate the electronic structure of $2H$-$\mathrm{Nb}\mathrm{S}_2$ and $h$-$\mathrm{BN}$ by angle-resolved photoemission spectroscopy (ARPES) and photoemission intensity calculations. Although in bulk form, these materials are expected to exhibit band degeneracy in the $k_z=\pi/c$ plane due to screw rotation and time-reversal symmetries, we observe gapped band dispersion near the surface. We extract from first-principles calculations the near-surface electronic structure probed by ARPES and find that the calculated photoemission spectra from the near-surface region reproduce the gapped ARPES spectra. Our results show that the near-surface electronic structure can be qualitatively different from the bulk one due to partially broken nonsymmorphic symmetries.

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