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 27, 2025)
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First Principles Calculations of Ionic Vibrational Frequencies in PbMg⅓Nb⅔0~3
Published
Author(s)
, ,
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
Citation
Issues
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Created August 1, 2003, Updated February 19, 2017