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Area of Science:

  • Materials Science
  • High-Pressure Physics
  • Solid-State Chemistry

Background:

  • Nitrogen's triple bond dissociates around 100 GPa, leading to predicted polymeric structures.
  • Previous studies reported cubic-gauche (cg-N) and mixed phases at high pressures and temperatures.

Purpose of the Study:

  • To investigate the crystalline phases of pure nitrogen at ultra-high pressures.
  • To characterize the structure of nitrogen above 240 GPa.
  • To computationally assess the stability of observed nitrogen phases.

Main Methods:

  • Laser heating of pure nitrogen at pressures from 180 GPa.
  • X-ray diffraction and Raman spectroscopy for structural characterization.
  • Density-functional theory calculations including thermal and dispersive effects.

Main Results:

  • A sole crystalline phase, hexagonal layered polymeric nitrogen (HLP-N), was identified above 240 GPa.
  • An amorphous transparent phase was observed below 240 GPa.
  • X-ray diffraction confirmed a tetragonal lattice (P42bc) consistent with HLP-N.

Conclusions:

  • The study identified and characterized a novel hexagonal layered polymeric nitrogen structure at ultra-high pressures.
  • Computational analysis supports the stability of the HLP-N structure under these extreme conditions.
  • This work expands the known phase diagram of nitrogen at gigapascal and terapascal pressures.