417 citations · 576 across the 6 of their papers we have counts for
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Origin of Stationary Domain Wall Enhanced Ferroelectric Susceptibility
Shi Liu, R. E. Cohen
Ferroelectrics usually adopt a multi-domain state with domain walls separating domains with polarization axes oriented differently. It has long been recognized that domain walls ca…
Synthesis of Polar Ordered Oxynitride Perovskite
Muhtar Ahart, Maddury Somayazulu, Rajasekarakumar Vadapoo +5
For decades, numerous attempts have been made to produce polar oxynitride perovskites, where some of the oxygen are replaced by nitrogen, but a polar ordered oxynitride has never b…
Elastic isotropy of hcp-Fe under Earth core conditions
Xianwei Sha, R. E. Cohen
Our first-principles calculations show that both the compressional and shear waves of hcp-Fe become elastically isotropic under the high temperatures of Earth inner core conditions…
Origin of Diffuse Scattering in Relaxor Ferroelectrics
P. Ganesh, E. Cockayne, M. Ahart +6
High-pressure and variable temperature single crystal synchrotron X-ray measurements combined with first-principles based molecular dynamics simulations study diffuse scattering in…
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…
First-Principles Elastic Constants for the hcp Transition Metals Fe, Co, and Re at High Pressure
G. Steinle-Neumann, L. Stixrude, R. E. Cohen
The elastic constant tensors for the hcp phases of three transition metals (Co, Re, and Fe) are computed as functions of pressure using the Linearized Augmented Plane Wave method w…