David M. Teter

TL;DR: A cubic form of C3N4 with a zero-pressure bulk modulus exceeding that of diamond is described in this paper, and a process for preparing such product which comprises combining carbon and nitrogen at a pressure of 120,000 to 800,000 atmosphere and a temperature of 1000-3000 °C is described.

TL;DR: A number of first-principle modeling methods are available to aid in the generation of promising structures such as comparative crystallography, algorithms based upon the concepts of crystalline nets and close packing, modern alloy theory methods, and simulated annealing strategies.

TL;DR: In this article, a large class of competitive phases can be generated from hcp arrays of oxygen with silicon occupying one-half of the octahedral sites, which provides an explanation for a number of recent high-pressure results for crystalline silica and allow us to understand the nature of the short and intermediate-range order in the high pressure amorphous state.

TL;DR: An anomaly in the compressibility is documented around 25 GPa associated with a discontinuity in the first pressure derivative of the c/a ratio that plausibly arises from the collapse of the small hole-ellipsoid in the Fermi surface near the L point.

TL;DR: First-principles total-energy pseudopotential methods have been used to examine several promising hypothetical structures and to compare their structural parameters, cohesive energies, and bulk moduli with those of low quartz, low cristobalite, silica sodalite, and stishovite.