THEORETICAL INVESTIGATIONS OF THE BULK MODULUS IN THE TETRA-CUBIC TRANSITION OF PbTiO<sub>3</sub>MATERIAL

Ribeiro, Rosane Aparecida; Lázaro, Sérgio Ricardo de

doi:10.5935/0100-4042.20140190

Cited by 3 publications

(1 citation statement)

References 1 publication

Supporting

Mentioning

Contrasting

Order By: Relevance

“…valence band slightly moves upward and Ti 3d state slightly moves downward. So, the band gap of x = 0.27 reduces due to the introduction of the cubic phase having a higher concentration of Sr as compared to the lower concentration of Sr [53,54]. Hence, the crystal structure also plays an important role in the reduction of band gap.…”

Section: Optical Propertiesmentioning

confidence: 99%

Structural phase transition driven dielectric and optical properties with reduction in band gap in Sr²⁺ modified BaTiO₃ ceramics

Mallick,

Kumar,

Das

et al. 2023

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

Ferroelectric materials with crystal symmetry transition from single phase to multiphase coexistence exhibit anomalous photosensitive properties. The optical properties (optical band gap and photosensitive) found on non-centrosymmetric and centrosymmetric systems achieved research interest because of their interesting behaviour. In this regard, the lead-free polycrystalline Ba1-xSrxTiO3 (0 ≤x≤0.3) has been synthesized to explore its crystal structure, dielectric, light absorption, and photocurrent sensing properties for various applications. Both experimental and theoretical studies on Ba1-xSrxTiO3 (0 ≤x≤0.3) ceramics confirm the crystal symmetry transition with the reduction of band gap as compared to pristine BaTiO3. This crystal symmetry transition plays an important role in varying the various physical properties as it involves the transition from the polar phase to the non-polar phase. The optical band gap has been estimated experimentally by the Tauc plot method and found that there is a small variation of energy band gap from 3.615 eV to 3.212 eV with Sr substitution. The highest dielectric constant was found to be 5327 on Ba0.76Sr0.24TiO3 at lower frequency after that for further increase in Sr concentration the dielectric constant decreases because of the introduction of the non-polar phase. A strong correlation between crystal structure and physical properties (dielectric, optical, etc.) has been observed. The photocurrent of the samples is significant which reveals that the sample is influenced by the photons. In a nutshell, the present study deepens the understanding of the correlation between crystal structure and various physical properties of Ba1-xSrxTiO3 and, hence provides an idea of required design parameters to construct a ferroelectric system for better photosensitive nature suitable for device applications.

show abstract

Section: Optical Propertiesmentioning

confidence: 99%

Structural phase transition driven dielectric and optical properties with reduction in band gap in Sr²⁺ modified BaTiO₃ ceramics

Mallick,

Kumar,

Das

et al. 2023

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

show abstract

Wurtzite and fluorite ferroelectric materials for electronic memory

et al. 2023

View full text Add to dashboard Cite

Introductory Chapter: A Brief Mention for High-Pressure in Oxides from DFT Simulations

Lázaro¹

2021

Density Functional Theory Calculations

View full text Add to dashboard Cite

THEORETICAL INVESTIGATIONS OF THE BULK MODULUS IN THE TETRA-CUBIC TRANSITION OF PbTiO₃MATERIAL

Cited by 3 publications

References 1 publication

Structural phase transition driven dielectric and optical properties with reduction in band gap in Sr²⁺ modified BaTiO₃ ceramics

Structural phase transition driven dielectric and optical properties with reduction in band gap in Sr²⁺ modified BaTiO₃ ceramics

Wurtzite and fluorite ferroelectric materials for electronic memory

Introductory Chapter: A Brief Mention for High-Pressure in Oxides from DFT Simulations

Contact Info

Product

Resources

About

THEORETICAL INVESTIGATIONS OF THE BULK MODULUS IN THE TETRA-CUBIC TRANSITION OF PbTiO3MATERIAL

Cited by 3 publications

References 1 publication

Structural phase transition driven dielectric and optical properties with reduction in band gap in Sr2+ modified BaTiO3 ceramics

Structural phase transition driven dielectric and optical properties with reduction in band gap in Sr2+ modified BaTiO3 ceramics

Wurtzite and fluorite ferroelectric materials for electronic memory

Introductory Chapter: A Brief Mention for High-Pressure in Oxides from DFT Simulations

Contact Info

Product

Resources

About

THEORETICAL INVESTIGATIONS OF THE BULK MODULUS IN THE TETRA-CUBIC TRANSITION OF PbTiO₃MATERIAL

Structural phase transition driven dielectric and optical properties with reduction in band gap in Sr²⁺ modified BaTiO₃ ceramics

Structural phase transition driven dielectric and optical properties with reduction in band gap in Sr²⁺ modified BaTiO₃ ceramics