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7 papers · 2 filters
Evidence of local magnetic order in hcp iron from Raman mode splitting
Gerd Steinle-Neumann, Lars Stixrude, R. E. Cohen +1
Experimental measurements of Raman spectra for hcp iron at high pressure show two modes over a considerable pressure range in contrast to the prediction of one doubly degenerate mo…
New Phases of Solid Nitrogen
Eugene Gregoryanz, Alexander Goncharov, Russell J. Hemley +3
We report the discovery of a new class of molecular phases of solid nitrogen at high pressures and temperatures by Raman and infrared spectroscopy and powder x-ray diffraction. Unl…
High Pressure Thermoelasticity of Body-centered Cubic Tantalum
O. Gulseren, R. E. Cohen
We have investigated the thermoelasticity of body-centered cubic (bcc) tantalum from first principles by using the linearized augmented plane wave (LAPW) and mixed--basis pseudopot…
First-principles Calculation of the Formation Energy in MgO-CaO Solid Solutions
S. V. Stolbov, R. E. Cohen
The electronic structure and total energy were calculated for ordered and disordered MgO-CaO solid solutions within the multiple scattering theory in real space and the local densi…
Spectroscopic Studies of the Vibrational and Electronic Properties of Solid Hydrogen to 285 GPa
Alexander F. Goncharov, Eugene Gregoryanz, Russell J. Hemley +1
We report Raman scattering and visible to near-infrared absorption spectra of solid hydrogen under static pressure up to 285 GPa at 85-140 K. We obtain pressure dependences of vibr…
Importance of Magnetism in Phase Stability, Equations of State, and Elasticity
R. E. Cohen, S. Gramsch, G. Steinle-Neumann +1
The effects of magnetism on high pressure properties of transition metals and transition metal compounds can be quite important. In the case of Fe, magnetism is responsible for sta…