Data for: Isostructural electronic transition in MoS2 probed by solid-state high harmonic generation spectroscopy

Studying materials under extreme pressure in diamond anvil cells (DACs) is
key to discovering emergent states of matter, yet no method currently
allows the direct measurement of the electronic structure in this
environment. Solid-state high harmonic generation (sHHG) offers a unique
all-optical window into the electronic structure of materials. We
demonstrate sHHG spectroscopy inside a DAC by probing 2𝑯-MoS2, up to 30
GPa, revealing a pressure-induced crossover of the lowest direct bandgap
from the K-point to the 𝚪-point. This transition manifests as a sharp
minimum in harmonic intensity and a 30° rotation of the sHHG polarization
anisotropy, despite the absence of a structural phase change. First
principles simulations attribute these features to interference between
competing excitation pathways at distinct points in the Brillouin zone.
Our results establish sHHG as a sensitive probe of electronic transitions
at high pressure, enabling access to quantum phenomena that evade
detection by conventional techniques. This data repository contains
materials and codes for the associated publication in Science Advances
titled "Isostructural electronic transition in MoS2 probed by
solid-state high harmonic generation spectroscopy" DOI:
10.1126/sciadv.adz5621