NOTICE: Due to a lapse in annual appropriations, most of this website is not being updated. Learn more.
Form submissions will still be accepted but will not receive responses at this time. Sections of this site for programs using non-appropriated funds (such as NVLAP) or those that are excepted from the shutdown (such as CHIPS and NVD) will continue to be updated.
An official website of the United States government
Here’s how you know
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
First Principles Calculations of Ionic Vibrational Frequencies in PbMg⅓Nb⅔0~3
Published
Author(s)
S A. Prosandeev, Eric J. Cockayne, Benjamin P. Burton
Abstract
Lattice dynamics for several ordered supercells with composition PbMgl/3Nb2/303 (PMN) were calculated with first-principles frozen phonon methods. Nominal symmetries of the supercelis studied are reduced by lattice instabilities. Laftice modes corresponding to these instabilities, equilibrium ionic positions, and infrared (IR) reflectivity spectra are reported.
Proceedings Title
Fundamental Physics of Ferroelectrics 2003 | | Fundamental Physics of Ferroelectrics 2003 | AIP
Prosandeev, S.
, Cockayne, E.
and Burton, B.
(2003),
First Principles Calculations of Ionic Vibrational Frequencies in PbMg⅓Nb⅔0~3, Fundamental Physics of Ferroelectrics 2003 | | Fundamental Physics of Ferroelectrics 2003 | AIP
(Accessed October 11, 2025)