Materials by design at high pressures

Abstract

with critical temperatures of 200 K and 260 K, respectively. This work summarizes and discusses recent progress in the theory-oriented discovery of new materials under high pressure, including hydrogen-rich superconductors, high-energy-density materials, inorganic electrides, and noble gas compounds. The discovery of the considered compounds involved substantial theoretical contributions. We address future challenges facing the design of materials at high pressure and provide perspectives on research directions with significant potential for future discoveries.

Topics & Concepts