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Phys. Rev. B 35, 4840–4849 (1987)

Theory of ferroelectricity: The polarizability model

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H. Bilz, G. Benedek, and A. Bussmann-Holder
Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, 7000 Stuttgart 80, Federal Republic of Germany

Received 30 October 1986; published in the issue dated 1 April 1987

We consider ferroelectric compounds created by relative ionic displacements between two or more sublattices (‘‘displacive’’ phase transitions). For these ferroelectric materials the nonbonding p orbitals of oxygen (02-) or chalcogen (S2-, etc.) ions play a central role, which is taken into account in the dynamical theory. It turns out that the fourth-order polarizability of the chalcogen ions is the main mechanism responsible for specific dynamical properties such as phonon dispersion curves and their anomalies (‘‘soft modes’’), Raman scattering, etc. The self-consistent phonon approximation is shown to give good results at all temperatures, particularly at T=0 (‘‘quantum limit’’) where this approximation is consistent with renormalized-group theory, and at very high temperatures (T≫Tc).

© 1987 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.35.4840
DOI:
10.1103/PhysRevB.35.4840
PACS:
77.80.Bh, 63.20.Kr