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25 April 2024

» arxiv » cond-mat/0404349

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Lattice Dynamics in PMN
S. A. Prosandeev ; E. Cockayne ; B. P. Burton ; S. Kamba ; J. Petzelt ; Yu. Yuzyuk ; R. S. Katiyar ; S. B. Vakhrushev ;
Date:	15 Apr 2004
Subject:	Materials Science \| cond-mat.mtrl-sci
Abstract:	Lattice dynamics for five ordered PMN supercells were calculated from first principles by the frozen phonon method. Maximal symmetries of all supercells are reduced by structural instabilities. Lattice modes corresponding to these instabilities, equilibrium ionic positions, and infrared reflectivity spectra were computed for all supercells. Results are compared with our experimental data for a chemically disordered PMN single crystal.
Source:	arXiv, cond-mat/0404349
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