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Changes in the electronic configuration of iron at high pressures toward a spin-paired state within host minerals ferropericlase and silicate perovskite may directly influence the seismic velocity structure of Earth's lower mantle. We measured the complete elastic tensor of ferropericlase, (Mg(1-x),Fe(x))O (x = 0.06), through the spin transition of iron,(More)
Raman spectroscopy in a laser heated diamond anvil cell and first principles molecular dynamics simulations have been used to study water in the temperature range 300 to 1500 K and at pressures to 56 GPa. We find a substantial decrease in the intensity of the O-H stretch mode in the liquid phase with pressure, and a change in slope of the melting line at 47(More)
Transition metal nitrides are of great technological and fundamental importance because of their strength and durability and because of their useful optical, electronic, and magnetic properties. We have evaluated a recently synthesized platinum nitride (PtN) that was shown to have a large bulk modulus, and we propose a structure that is isostructural with(More)
The thermodynamic stabilities of various phases of the nitrides of the platinum-metal elements are systematically studied using density functional theory. It is shown that for the nitrides of Rh, Pd, Ir, and Pt two new crystal structures, in which the metal ions occupy simple tetragonal lattice sites, have lower formation enthalpies at ambient conditions(More)
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