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Experimental and theoretical investigation of the structural, chemical, electronic, and high frequency dielectric properties of barium cadmium tantalate–based ceramics
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10.1063/1.1823575
/content/aip/journal/jap/97/1/10.1063/1.1823575
http://aip.metastore.ingenta.com/content/aip/journal/jap/97/1/10.1063/1.1823575

Figures

Image of FIG. 1.
FIG. 1.

Thermogravimetry measurements of the mass loss from as a function of time and temperature.

Image of FIG. 2.
FIG. 2.

X-ray diffraction spectra of decomposed powder after exposure to during the thermogravimetry measurements. Evidence of the presence of secondary and phases can be clearly seen.

Image of FIG. 3.
FIG. 3.

Ellingham diagram for .

Image of FIG. 4.
FIG. 4.

X-ray diffraction spectra of solid solution powder.

Image of FIG. 5.
FIG. 5.

X-ray diffraction spectra of sintered synthesized with ZnO as sintering aid.

Image of FIG. 6.
FIG. 6.

Dependence of relative density on sintering temperature for ceramics synthesized with 2% ZnO sintering agent. Note: The theoretical density of is .

Image of FIG. 7.
FIG. 7.

Scanning electron micrograph of with ZnO sintered at for .

Image of FIG. 8.
FIG. 8.

Dependence of on the sintering temperature of (BCT) samples synthesized with and without 2% ZnO sintering agent.

Image of FIG. 9.
FIG. 9.

Dependence of dielectric constant on sintering temperature for (BCT) samples synthesized with and without 2% ZnO sintering agent.

Image of FIG. 10.
FIG. 10.

Ball and stick model of (a) and (b) . Solid black balls are Zn in (a) and Cd in (b). The distortion relative to the bond-centered configuration has been amplified by a factor of 5 to more clearly show the distortion, in particular, the buckling of the Ta–O–Cd bond.

Image of FIG. 11.
FIG. 11.

Energy as a function of the generalized coordinate .  parametrizes the collective displacement of the O atoms; corresponds to the high-symmetry position of the oxygen atom between the Cd and Ta atoms; to the minimum energy configuration given in Table II.

Image of FIG. 12.
FIG. 12.

Electronic band structure of (a) and (b) as calculated by the linear muffin tin orbital method within the local density functional approximation.

Tables

Generic image for table
Table I.

The lattice constants of powder samples fit to the cubic and hexagonal structure.

Generic image for table
Table II.

Table of lattice positions in Cartesian coordinates. Note: The dimensions are scaled to the cubic unit cell dimensions.

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/content/aip/journal/jap/97/1/10.1063/1.1823575
2004-12-14
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Experimental and theoretical investigation of the structural, chemical, electronic, and high frequency dielectric properties of barium cadmium tantalate–based ceramics
http://aip.metastore.ingenta.com/content/aip/journal/jap/97/1/10.1063/1.1823575
10.1063/1.1823575
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