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Neutron diffraction study of the coupling between spin, lattice, and structural degrees of freedom in 0.8BiFeO3-0.2PbTiO3
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Image of FIG. 1.
FIG. 1.

Rietveld plots of BFPT 20 at 27°C. The magnetic structure considered in (a) is helical, in (b) is G-type AFM with moment in the a-b plane and in (c) is G-type AFM with moments parallel to the c axis of the hexagonal cell. The insets show magnified plots of the magnetic peak and the first nuclear Bragg peak.

Image of FIG. 2.
FIG. 2.

Temperature variation of the average ordered magnetic moment per Fe/Ti obtained from Rietveld refinement of the magnetic structure corresponding to G-type AFM with moments parallel to the c direction.

Image of FIG. 3.
FIG. 3.

(Color online) Temperature variation of lattice parameters (a), (b), and cell volume (c) in the rhombohedral and the cubic phases. The corresponding spontaneous strains are shown in (d), (e), and (f). For sake of direct comparison, the cubic cell parameters in (a) have been scaled with 2, in (b) with 23 and the cubic volume in (c) with 6.

Image of FIG. 4.
FIG. 4.

(Color online) Temperature dependence of (a) refinable cation coordinates (s and t), (b) estimated ionic polarization, (c) octahedral distortion parameter, (d) octahedral tilt angle, (e) excess tilt angle in the magnetic phase region, and (f) octahedral strain parameter.

Image of FIG. 5.
FIG. 5.

Temperature dependence of important bond lengths and angles within an octahedron.

Image of FIG. 6.
FIG. 6.

(Color online) Schematic diagram of the six O and a central cation of an octahedron. The three upper O are labeled 1, and the three lower O are labeled 2. Further labeling with letters a–f is done for convenient depiction of the different bond lengths and angles.


Generic image for table
Table I.

Comparison of the residuals and refined magnetic Moments for the three magnetic structure models.

Generic image for table
Table II.

Refined structural parameters of 0.8BiFeO3-0.2PbTiO3 at 27°C B and uij are isotropic and anisotropic displacement parameters, respectively.


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Scitation: Neutron diffraction study of the coupling between spin, lattice, and structural degrees of freedom in 0.8BiFeO3-0.2PbTiO3