This article is cited in 3 papers

Lattice dynamics

Quantum-mechanical calculations and analysis of vibrational modes in lead magnoniobate

S. A. Prosandeev^ab, M. S. Panchelyuga^c, S. I. Raevskaya^a, I. P. Raevskii<sup>a

a</sup> Research Institute of Physics, Southern Federal University, Rostov-on-Don
^b University of Arkansas, Fayetteville, Arkansas, 72701, USA
^c Institute for Theoretical and Experimental Biophysics, Russian Academy of Sciences, Pushchino, Moscow region

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.

Received: 13.04.2010

 English version: Physics of the Solid State, 2011, 53:1, 147–150

Bibliographic databases:

•