most citedFirst Principles Calculations of Ionic Vibrational Frequencies in PbMg1/3Nb2/3O3

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cond-mat.mtrl-sci2003★ 2 cited

First Principles Calculations of Ionic Vibrational Frequencies in PbMg1/3Nb2/3O3

S. A. Prosandeev, E. Cockayne, E. P. Burton

Lattice dynamics for several ordered supercells with composition PbMg1/3Nb2/3O (PMN) were calculated with first-principles frozen phonon methods. Nominal symmetries of the supercel…