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- Carnegie Institution for ScienceUS218 papers
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- Center for High Pressure Science and Technology Advanced ResearchCN40 papers
- Institute of Solid State PhysicsCN26 papers
- Argonne National LaboratoryUS24 papers
- University of ChicagoUS21 papers
- Institute of PhysicsPL16 papers
- Ludwig-Maximilians-Universität MünchenDE16 papers
- Advanced Photon Source14 papers
- Collaborative Innovation Center of Advanced MicrostructuresCN14 papers
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7 papers · 2 filters
Backbone NxH Compounds at High Pressures
Alexander F. Goncharov, Nicholas Holtgrewe, Guangrui Qian +11
Optical and synchrotron x-ray diffraction diamond anvil cell experiments have been combined with first principles theoretical structure predictions to investigate mixed N2 and H2 u…
Equations of state and stability of MgSiO perovskite and post-perovskite phases from quantum Monte Carlo simulations
Yangzheng Lin, R. E. Cohen, Stephen Stackhouse +4
We have performed quantum Monte Carlo (QMC) simulations and density functional theory (DFT) calculations to study the equations of state of MgSiO perovskite (Pv) and post-perov…
Prediction of a new potential high-pressure structure of FeSiO
R. E. Cohen, Yangzheng Lin
We predict a new candidate high-temperature high-pressure structure of FeSiO with space-group symmetry Cmmm by applying an evolutionary algorithm within DFT+U that we call post…
Bulk Signatures of Pressure-Induced Band Inversion and Topological Phase Transitions in PbSnSe
Xiaoxiang Xi, Xu-Gang He, Fen Guan +10
The characteristics of topological insulators are manifested in both their surface and bulk properties, but the latter remain to be explored. Here we report bulk signatures of pres…
Reinvestigation of high pressure polymorphism in Hafnium metal
K. K. Pandey, Jyoti Gyanchandani, M. Somayazulu +3
There has been a recent controversy about the high pressure polymorphism of Hafnium (Hf). Unlike, the earlier known α ω structural transition at 38 8 GPa, Hrubi…
Nonharmonic Phonons in -Iron at High Temperatures
L. Mauger, M. S. Lucas, J. A. Muñoz +5
Phonon densities of states (DOS) of bcc -Fe were measured from room temperature through the 1044K Curie transition and the 1185K fcc -Fe phase transition using nuclear…