High-pressure polymeric nitrogen allotrope with the black phosphorus structure

Abstract

Studies of polynitrogen phases are of great interest for fundamental science and for the design of novel high energy density materials. Laser heating of pure nitrogen at 140 GPa in a diamond anvil cell led to the synthesis of a polymeric nitrogen allotrope with the black phosphorus structure, bp-N. The structure was identified in situ using synchrotron single-crystal X-ray diffraction and further studied by Raman spectroscopy and density functional theory calculations. The discovery of bp-N brings nitrogen in line with heavier pnictogen elements, resolves incongruities regarding polymeric nitrogen phases and provides insights into polynitrogen arrangements at extreme densities.

References in corpus (6)

• Phonons and related properties of extended systems from density-functional perturbation theory
• The Renaissance of Black Phosphorus
• Anisotropic in-plane thermal conductivity observed in few-layer black phosphorus
• Predicting Band Gaps with Hybrid Density Functionals
• High-Pressure Amorphous Nitrogen
• Stable all nitrogen metallic salt at terapascal pressures

Cited by in corpus (14)

• Intrinsic ferromagnetism and restrictive thermodynamic stability in MA${}_2$N${}_4$ and Janus VSiGeN${}_4$ monolayers
• Anisotropic effects in two-dimensional materials
• Helium Induced Nitrogen Salt at High Pressure
• In-situ High Pressure Nuclear Magnetic Resonance Crystallography
• Realized Stable BP-N at Ambient Pressure by Phosphorus Doping
• One-step Synthesis of Cubic Gauche Polymeric Nitrogen with High Yield Just by Heating
• Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable Phases
• Strong electron-phonon coupling and phonon-induced superconductivity in tetragonal C${}_3$N${}_4$ with hole doping
• Evidence of a two-dimensional nitrogen crystalline structure on silver surfaces
• High-pressure synthesis of K_{4}N_{6} compound entirely composed of aromatic hexazine [N_{6}]^{4-} anion
• Possible realization of hyperbolic plasmons in a few-layered rhenium disulfide
• Thermodynamic and electronic properties of ReN${}_2$ polymorphs at high-pressure
• Electronic and optical properties of crystalline nitrogen versus black phosphorus: A comparative first-principles study
• Structures of group-15 elemental solids from an effective boundary theory