Journal
PHYSICAL REVIEW B
Volume 68, Issue 2, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.68.024110
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In first-principles variable-cell-shape molecular dynamics simulations and structural optimizations of nitrogen at pressures of 0-500 GPa, the phase with lowest enthalpy at high pressures, BP, was found to transform at low pressures into a new, metastable, metallic phase with a chainlike structure. The latter may possibly be related to a metastable nonmolecular phase that was recently observed experimentally at low temperatures and pressures.
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