Thermal and structural characterization of SrTi1-xNdxO3

Silva, Márcia R. S.; Alves, Mary Cristina Ferreira; Lima, Severino Jackson Guedes de; Soledade, L. E. B.; Paris, E. C.; Longo, Elson; Souza, A. G.; Santos, I. M. G.

doi:10.1007/s10973-009-0075-7

Cited by 3 publications

(2 citation statements)

References 16 publications

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“…Previous calculations have shown that Nd (the next smallest element in the rare-earth series) enters SrTiO 3 via a self-compensation mechanism with doping occurring at the Sr- and Ti-sites simultaneously . Pr- and Nd-doping at the Ti-site alone has been reported by experiment. , The smaller Pr ion (and therefore more densely charged) distorts the AO 12 polyhedra in the grain boundaries more significantly than the La ion and is also able to form stronger, shorter bonds with some of the neighboring oxygen ions.…”

Section: Results and Discussionmentioning

confidence: 96%

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Local Structure and Energetics of Pr- and La-Doped SrTiO₃ Grain Boundaries and the Influence on Core–Shell Structure Formation

Dawson

Tanaka

2014

J. Phys. Chem. C

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Using atomistic simulation techniques, we investigate the structural and energetic effects of Pr-and Ladoping on the grain boundaries of SrTiO 3 . Recent experimental studies have shown that Pr-doping of SrTiO 3 produces a large thermoelectric power factor and that this is a result of Pr-rich grain boundaries formed in a core−shell structure. This behavior was not observed for La-doping and dopant-rich grain boundaries were not formed. In this work, for both the infinitely dilute limit and solid solutions with dopant concentrations of up to ∼15 mol %, Pr-doping at the grain boundaries is found to be far more favorable than doping in the bulk. La-doping at the grain boundaries is also found to be favored over bulk doping, however, to a far lesser extent than that calculated for Pr. The binding energy between Pr ions and charge compensating Sr vacancies is also stronger than for La ion defect clusters. By analyzing the local structures around these defect clusters, we provide possible explanations as to why there is a significant energetic benefit for grain-boundary doping.

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Section: Results and Discussionmentioning

confidence: 96%

“…21 Pr-and Nd-doping at the Ti-site alone has been reported by experiment. 19,56 The smaller Pr ion (and therefore more densely charged) distorts the AO 12 polyhedra in the grain boundaries more significantly than the La ion and is also able to form stronger, shorter bonds with some of the neighboring oxygen ions. Σ3(112)(2/3) Grain Boundary.…”

Section: Resultsmentioning

confidence: 99%

Local Structure and Energetics of Pr- and La-Doped SrTiO₃ Grain Boundaries and the Influence on Core–Shell Structure Formation

Dawson

Tanaka

2014

J. Phys. Chem. C

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Effect of the composition on the thermal behaviour of the SrSn1−xTixO3 precursor prepared by the polymeric precursor method

Oliveira

Silva

Sales

et al. 2013

J Therm Anal Calorim

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Systematic microstructural development with thermal diffusivity behaviour from nanometric to micronic grains of strontium titanate

Ibrahim

Hashim

Ismail

et al. 2018

J Therm Anal Calorim

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Strontium titanate is a promising candidate for applications in thermoelectric, thermal management applications, and modern electronic devices because of its desirable thermal stability, chemical stability, and semiconducting behaviour. However, the absence of its important systematic development, having grain size from several nanometric up to micronic size with evolving thermal diffusivity behaviour, triggers the need for filling up the vacuum. Two different heat treatments have been carried out onto the samples which were with presintering and without presintering. Nanometer-sized compacted powder samples were sintered from 500 to 1400°C using 100°C increments. The parallel characterizations of structural, microstructural and thermal diffusivity properties were systematically carried out. Interestingly, three significant valuedifferentiated groups: weak, moderate, and strong thermal diffusivity were observed, resulting from the influence of different phonon-scattering mechanisms through a systematic development of microstructural properties for both heat treatments.

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Thermal and structural characterization of SrTi1-xNdxO3

Cited by 3 publications

References 16 publications

Local Structure and Energetics of Pr- and La-Doped SrTiO₃ Grain Boundaries and the Influence on Core–Shell Structure Formation

Local Structure and Energetics of Pr- and La-Doped SrTiO₃ Grain Boundaries and the Influence on Core–Shell Structure Formation

Effect of the composition on the thermal behaviour of the SrSn1−xTixO3 precursor prepared by the polymeric precursor method

Systematic microstructural development with thermal diffusivity behaviour from nanometric to micronic grains of strontium titanate

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Thermal and structural characterization of SrTi1-xNdxO3

Cited by 3 publications

References 16 publications

Local Structure and Energetics of Pr- and La-Doped SrTiO3 Grain Boundaries and the Influence on Core–Shell Structure Formation

Local Structure and Energetics of Pr- and La-Doped SrTiO3 Grain Boundaries and the Influence on Core–Shell Structure Formation

Effect of the composition on the thermal behaviour of the SrSn1−xTixO3 precursor prepared by the polymeric precursor method

Systematic microstructural development with thermal diffusivity behaviour from nanometric to micronic grains of strontium titanate

Contact Info

Product

Resources

About

Local Structure and Energetics of Pr- and La-Doped SrTiO₃ Grain Boundaries and the Influence on Core–Shell Structure Formation

Local Structure and Energetics of Pr- and La-Doped SrTiO₃ Grain Boundaries and the Influence on Core–Shell Structure Formation