U.S. flag

An official website of the United States government

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.

PUBLICATIONS

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
Volume
677
Conference Dates
February 2-5, 2003
Conference Title
AIP Conference Proceedings
Pub Type
Conferences

Keywords

ferroelectrics, infrared reflectivity, lattice dynamics, PMN, relaxor ferroelectrics
Biomaterials and Ceramics

Citation

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 December 14, 2024)

Issues

If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.

Created August 1, 2003, Updated February 19, 2017