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Theoretical and experimental investigation of Raman modes, ferroelectric and dielectric properties of relaxor Na0.5Bi0.5TiO3
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10.1063/1.4804940
/content/aip/journal/jap/113/19/10.1063/1.4804940
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/19/10.1063/1.4804940

Figures

Image of FIG. 1.
FIG. 1.

The rhombohedral () unit cell of NBT. The lattice constant, angle, and the structural parameters are given in Table I .

Image of FIG. 2.
FIG. 2.

(a) The total density of states of NBT. The partial density of states of NBT projected onto orbitals of (b) Ti atom, (c) Bi atom, (d) O atom, and (e) Na atom. Fermi energy is indicated by the dashed line.

Image of FIG. 3.
FIG. 3.

Reitveld refined X-ray diffraction pattern of the sintered NBT sample with the inset showing the magnified lower angle region.

Image of FIG. 4.
FIG. 4.

Room temperature P vs. E hysteresis loop and corresponding I-V curve of NBT sample.

Image of FIG. 5.
FIG. 5.

Raman spectrum of NBT sample measured at 300 K. The overlapped bands (A-D) have been de-convoluted into their individual components as indicated by arrows after base-line correction.

Image of FIG. 6.
FIG. 6.

(a) ε′ vs. T ( °C) plot depicting diffused phase transition near T (i.e., ≅ 310  °C for 100 kHz data) along with tanδ vs. T ( °C) in the inset of Fig. 6(a) . (b) Curie-Weiss (1/ε′ vs T( °C)) and diffusivity plots (inset of Fig. 6(b) ) indicating the relaxor behavior of NBT.

Tables

Generic image for table
Table I.

Theoretical and experimental lattice constant (Å), angle (in degrees), structural parameters (), and volume Ω(Å) of NBT.

Generic image for table
Table II.

Components of calculated Born effective charge tensors of Na, Bi, Ti, and O atoms in NBT. Last three columns show the eigenvalues of the symmetric part of the full tensor. (See Table I and Fig. 1 for position of atoms).

Generic image for table
Table III.

Fundamental frequencies (cm) of NBT with their symmetry assignments. Experimental data were taken at the room temperature.

Generic image for table
Table IV.

Electronic and static dielectric tensors of NBT. The tensors are diagonal and have different components perpendicular ( ) and parallel (∥) to 3-fold [111] symmetry axis.

Generic image for table
Table V.

Components of mode effective charge vector ( ) and different mode contribution to static dielectric tensor perpendicular ( ) and parallel (||) to 3-fold [111] symmetry axis.

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/content/aip/journal/jap/113/19/10.1063/1.4804940
2013-05-21
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Theoretical and experimental investigation of Raman modes, ferroelectric and dielectric properties of relaxor Na0.5Bi0.5TiO3
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/19/10.1063/1.4804940
10.1063/1.4804940
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