title: Novel high pressure structures of polymeric nitrogen.
abstract: The search for the stable monatomic forms of solid nitrogen is of great importance in view of its potential application as a high-energy-density material. Based on the results of evolutionary structure searches, we proposed two high-pressure polymeric structures to be stable beyond the stability field of the synthesized cubic gauche structure--the layered Pba2 or Iba2 (188-320 GPa) and the helical tunnel P2_{1}2_{1}2_{1} structure (>320 GPa). We rule out the low-temperature stability of the earlier proposed black phosphorus structure. Stability fields of the newly predicted polymorphs are within the reach of current experimental techniques.
authors.affiliation: National Lab of Superhard Materials, Jilin University, Changchun 130012, People's Republic of China. mym@jlu.edu.cn
authors.forename: Yanming
authors.initials: Y
authors.lastname: Ma
authors.forename: Artem R
authors.initials: AR
authors.lastname: Oganov
authors.forename: Zhenwei
authors.initials: Z
authors.lastname: Li
authors.forename: Yu
authors.initials: Y
authors.lastname: Xie
authors.forename: Jani
authors.initials: J
authors.lastname: Kotakoski