Pressure is a fundamental thermodynamic variable that can be used to control the properties
of materials, because it reduces interatomic distances and profoundly modifies electronic …

It is essential to know the arrangement of the atoms in a material in order to compute and
understand its properties. Searching for stable structures of materials using first-principles …

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 …

The pentazolates, the last all-nitrogen members of the azole series, have been notoriously
elusive for the last hundred years despite enormous efforts to make these compounds in …

The nitrogen triple bond dissociates in the 100 GPa pressure range and a rich variety of
single-bonded polymeric nitrogen structures unique to this element have been predicted up …

Group V elements in crystal structure isostructural to black phosphorus with unique
puckered two-dimensional layers exhibit exciting physical and chemical phenomena …

Polymeric nitrogen, stabilized by compressing pure molecular nitrogen, has yet to be
recovered to ambient conditions, precluding its application as a high-energy density …

Pressure profoundly alters all states of matter. The symbiotic development of ultrahigh-
pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; …

Polynitrogen compounds have been actively pursued driven by their potential as ultra-high-
performing propellants or explosives. Despite remarkable breakthroughs over the past two …

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 …