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Stable all-nitrogen metallic salt at terapascal pressures.

Jian Sun1, Miguel Martinez-Canales, Dennis D Klug

  • 1Department of Physics and National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093, China and Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany and Theory of Condensed Matter Group, Cavendish Laboratory, J J Thomson Avenue, Cambridge CB3 0HE, United Kingdom.

Physical Review Letters
|November 12, 2013
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Summary
This summary is machine-generated.

Researchers predict new nitrogen phases stable at multi-terapascal (TPa) pressures. These phases exhibit unexpected ionic features and charge transfer, potentially leading to novel nitrogen materials under extreme conditions.

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Area of Science:

  • Condensed matter physics
  • Materials science
  • Planetary science

Background:

  • Understanding dense nitrogen's phase diagram and equation of state is crucial for planetary science and materials discovery.
  • Extreme conditions, such as multi-TPa pressures, drive novel material properties.

Purpose of the Study:

  • To predict stable phases of nitrogen at multi-TPa pressures.
  • To investigate the P-T phase diagram and equation of state of dense nitrogen.
  • To explore potential new classes of nitrogen-based materials.

Main Methods:

  • Quasiharmonic phonon calculations.
  • Ab initio molecular dynamics simulations.

Main Results:

  • Prediction of several stable nitrogen phases at multi-TPa pressures.
  • Identification of a P4/nbm structure (2.5-6.8 TPa) with N(2)(δ+) and N(5)(δ-) ions.
  • Discovery of a modulated layered structure (6.8-12.6 TPa) with significant charge transfer.
  • Observation of unexpected ionic features and charge density distortions in metallic nitrogen phases.

Conclusions:

  • Dense nitrogen can form stable, exotic phases at extreme pressures.
  • These phases exhibit characteristics of ionic materials, challenging conventional understanding of elements.
  • The predicted P4/nbm and modulated structures represent potential new classes of high-pressure nitrogen materials.