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Evidence from molecular dynamics simulations for non-metallic behaviour of solid hydrogen above 160 gigapascals.

Author(s) : TSE J. S., KLUG D. D.

Type of article: Article

Summary

The authors find that at 77 K, hydrogen exists as a stable, orientationally disordered phase up to 60 gigapascals, consistent with experimental results. As the pressure is raised, a gradual transformation to an ordered orthorhombic structure begins at 160 gigapascals, and by 260 gigapascals, the solid becomes semiconducting, with an indirect band gap of 1.4 electronvolt. Although limitations on the simulation time and size may result in an overestimate of the absolute pressure, their calculations show that solid hydrogen does not become metallic, even at pressures approaching 260 gigapascals.

Details

  • Original title: Evidence from molecular dynamics simulations for non-metallic behaviour of solid hydrogen above 160 gigapascals.
  • Record ID : 1996-2035
  • Languages: English
  • Source: Nature - vol. 378 - n. 6557
  • Publication date: 1995/12/07
  • Document available for consultation in the library of the IIR headquarters only.

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