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Quantum-mechanical calculations and analysis of vibrational modes in lead magnoniobate
Authors:S A Prosandeev  M S Panchelyuga  S I Raevskaya and I P Raevskii
Abstract:The vibrational modes in lead magnoniobate have been calculated using the frozen phonon method. It has been shown that lead atoms participate in two radically different vibrational modes, namely, a nonpolar antiferrodistortive mode, which involves the antiphase motion of some lead atoms with respect to other lead atoms, and a polar mode, which includes the polar motion of lead atoms with respect to other atoms of the lattice. The nontrivial properties of lead magnoniobate have been discussed in terms of the unity and conflict of these modes.
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