Ferroelectric-Mode Motion in KD2PO4

J. Skalyo, Jr., B. C. Frazer, and G. Shirane
Phys. Rev. B 1, 278 – Published 1 January 1970
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Abstract

The atomic motions of the ferroelectric soft mode in KD2PO4 have been determined by neutron tripleaxis spectrometry. Kaminow and Damen have investigated the ferroelectric mode in KH2PO4 and find it is overdamped, and Buyers et al. find the mode in KD2PO4 to be extremely overdamped. We have carried out an extensive study of this mode throughout both the [010] and [001] zones of the reciprocal lattice, and an energy analysis has indicated an inelasticity of less than 0.2 meV. The mode is not directly observable, as it superposes the Bragg peak, but a careful study of the temperature dependence of the compatible over-damped Σ2 optic branch permitted an accurate determination of the ferroelectric mode intensity at the Γ points of 60 Brillouin zones. A least-squares calculation of the inelastic structure factors fits the intensities well, and this permitted an evaluation of the relative atomic movements. The model fit consisted of a linear combination of the seven modes spanning the Γ3 representation as determined by Shur. The movement consists of K, P, and D atomic motions as proposed by Cochran from the structural studies of Bacon and Pease. In addition, a large z motion for the deuterium atoms and a large distortional motion in the xy plane of the oxygen tetrahedra are observed.

  • Received 18 August 1969

DOI:https://doi.org/10.1103/PhysRevB.1.278

©1970 American Physical Society

Authors & Affiliations

J. Skalyo, Jr., B. C. Frazer, and G. Shirane

  • Brookhaven National Laboratory, Upton, New York 11973

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Vol. 1, Iss. 1 — 1 January 1970

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