Lattice Dynamics in PMN

Details Lattice Dynamics in PMN Lattice Dynamics in PMN

2004-04-14

arxiv.org/abs/cond-mat/0404349v1

Physics

Condensed Matter

Materials Science

10 pages, submitted to Physical Review B without detailes, which can be found in this preprint

Scientific paper

10.1103/PhysRevB.70.134110

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.

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