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Search Publications by: Eric J. Cockayne (Fed)

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Displaying 51 - 75 of 112

Local Structures and Raman Spectra in the Ca(Zr,Ti)O 3 Perovskite Solid Solutions

February 7, 2006
Author(s)
Igor Levin, Eric J. Cockayne, M W. Lufaso, Joseph C. Woicik, James E. Maslar
Local structures and cation distributions in perovskite Ca(Zr, Ti)O3 solid solutions were analyzed using X-ray absorption fine structure and pair-distribution functions obtained from total neutron scattering. The analyses revealed that the Zr-O and Ti-O

Wake Fields in the Electron Gas Including Transverse Response

January 19, 2006
Author(s)
Eric J. Cockayne, Zachary H. Levine
Relativistic electrons have transverse electric fields comparable in magnitude to the longitudinal fields. We determine the relative effects of transverse and longitudinal fields of a moving point charge on the dielectric response of a uniform electron gas

First Principles Based Simulations of Relaxor Ferroelectrics

January 16, 2006
Author(s)
Benjamin P. Burton, Eric J. Cockayne, Silvia Tinte, U Waghmare
The phenomenology of Pb(B,B$ {\prime}$)O$_{3}$, perovskite based relaxor ferroelectrics is reviewed, with emphasis on the relationship between chemical short-range order and the formation of polar nanoregions in the temperature range between the freezing

Generation of Lattice Wannier Functions via Maximum Localization

January 20, 2005
Author(s)
Eric J. Cockayne
A method is presented for generating approximate lattice Wannier functions (LWF) for lattice dynamics problems, using the dynamical matrix for a supercell as input. The lattice Wannier functions fit selected phonon frequencies and eigenvectors exactly, are

Lattice Dynamics in PbMg1/3Nb2/3O3

October 1, 2004
Author(s)
S A. Prosandeev, Eric J. Cockayne, Benjamin P. Burton, S Kamba, J Petzelt, Yu Yuzyuk, R S. Katiyar, S B. Vakhrushev

Dipole Moment of a Pb-O Vacancy Pair in PbTiO 3

April 1, 2004
Author(s)
Eric J. Cockayne, Benjamin P. Burton
The polarization of a nearest-neighbor (nn) Pb-O vacancy pair in PbTiO3 is calculated, using the modern theory of polarization, implemented in the density functional theory ultrasoft pseudopotential formalism. The dipole moment per divacancy is about 2.228