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 …

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

Synchrotron sources with high photon flux, small source size, and broad energy range have
revolutionized ultrafine characterization of condensed matter. With the addition of the …

The coupling of two or more molecules of dinitrogen (N2) occurs naturally under the
radiative conditions present in the ionosphere and may be achieved synthetically under …

We have developed an efficient and reliable methodology for crystal structure prediction,
merging ab initio total-energy calculations and a specifically devised evolutionary algorithm …

Nitrogen usually consists of molecules where two atoms are strongly triple-bonded. Here,
we report on an allotropic form of nitrogen where all atoms are connected with single …

We present the discovery of a novel nitrogen phase synthesized using laser-heated
diamond anvil cells at pressures between 120–180 GPa well above the stability field of …

Density-functional-theory calculations and a structure-searching method are used to identify
candidate high-pressure phases of nitrogen. We find six structures which are calculated to …

Recent advances in high-pressure technologies and large-scale experimental and
computational facilities have enabled scientists, at an unprecedented rate, to discover and …

High-pressure high-temperature synchrotron diffraction measurements reveal a maximum
on the melting curve of Na in the bcc phase at∼ 31 GPa and 1000 K and a steep decrease …