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We introduce electronic plastic crystals, where localized electrons exhibit orientational motion within a crystalline structure. This phenomenon, observed in halogen crystals and halide perovskites, offers new insights into solid-state physics.

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Area of Science:

  • Solid-state physics
  • Materials science
  • Crystallography

Background:

  • Traditional crystalline phase classifications focus on nuclear structure.
  • Electronic and nuclear structure interactions are key to understanding material properties.

Purpose of the Study:

  • Introduce the concept of an electronic plastic crystal.
  • Explore electronic degrees of freedom in crystalline materials.
  • Investigate orientational motion of localized electrons.

Main Methods:

  • Ab initio molecular dynamics simulations.
  • Examination of electronic and nuclear structure.
  • Analysis of polarization fluctuations and collective motions.

Main Results:

  • Predicted existence of electronic plastic crystal motion in halogen crystals and halide perovskites.
  • Identified lone pair electrons as key to this motion.
  • Established coupling between electronic structure and phonon-induced polarization fluctuations.

Conclusions:

  • Electronic plastic crystals represent a new class of materials.
  • This orientational motion is an emergent phenomenon.
  • Charge density fluctuations may be observable via synchrotron scattering.