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A p-n junction is formed when p-type and n-type semiconductor materials are joined together. At the interface of the p-n junction, holes from the p-side and electrons from the n-side begin to diffuse into the opposite sides due to the concentration gradient. This diffusion of carriers leads to a region around the junction where there are no free charge carriers, known as the depletion region. The charge density within the depletion region for the n-side and p-side can be described by the...
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The insulating gap in Ta2NiSe5 is primarily caused by structural changes, not excitonic effects. MeV ultrafast electron diffraction revealed atomic displacements that explain the photoinduced gap reduction in this candidate excitonic insulator.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Materials

Background:

  • Excitonic insulators feature an energy gap from bound electron-hole pairs.
  • Ta2NiSe5 is a candidate excitonic insulator, but its insulating gap origin is debated due to a concurrent structural phase transition.
  • Previous studies overlooked atomic displacements during photoexcitation.

Purpose of the Study:

  • To investigate the role of atomic displacements in Ta2NiSe5's photoinduced gap changes.
  • To resolve the long-standing debate on the origin of the insulating gap in Ta2NiSe5.
  • To understand the influence of lattice dynamics on nonequilibrium phase transitions in correlated materials.

Main Methods:

  • Utilized MeV ultrafast electron diffraction to quantitatively measure atomic displacements in Ta2NiSe5 after photoexcitation.
  • Performed first-principles calculations informed by the experimentally determined atomic displacements.
  • Combined time-resolved structural dynamics with theoretical modeling.

Main Results:

  • Photoexcitation induces significant atomic displacements in Ta2NiSe5.
  • The observed structural changes largely explain the photoinduced reduction of the energy gap.
  • Excitonic effects are not the primary driver of the observed gap reduction.

Conclusions:

  • The insulating gap in Ta2NiSe5 is predominantly driven by structural phase transitions, not excitonic condensation.
  • Quantitative reconstruction of atomic pathways is crucial for understanding photoinduced phase transitions.
  • Lattice dynamics play a pivotal role in the behavior of correlated materials.