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Thermal Stability and Non-Linear Optical and Dielectric Properties of Lead-Free K 0.5 Bi 0.5 TiO 3 Ceramics.
- Source :
-
Materials (1996-1944) . May2024, Vol. 17 Issue 9, p2089. 21p. - Publication Year :
- 2024
-
Abstract
- Lead-free K0.5Bi0.5TiO3 (KBT) ceramics with high density (~5.36 g/cm3, 90% of X-ray density) and compositional purity (up to 90%) were synthesized using a solid-state reaction method. Strongly condensed KBT ceramics revealed homogenous local microstructures. TG/DSC (Thermogravimetry-differential scanning calorimetry) techniques characterized the thermal and structural stability of KBT. High mass stability (>0.4%) has proven no KBT thermal decomposition or other phase precipitation up to 1000 °C except for the co-existing K2Ti6O13 impurity. A strong influence of crystallites size and sintering conditions on improved dielectric and non-linear optical properties was reported. A significant increase (more than twice) in dielectric permittivity (εR), substantial for potential applications, was found in the KBT-24h specimen with extensive milling time. Moreover, it was observed that the second harmonic generation (λSHG = 532 nm) was activated at remarkably low fundamental beam intensity. Finally, spectroscopic experiments (Fourier transform Raman and far-infrared spectroscopy (FT-IR)) were supported by DFT (Density functional theory) calculations with a 2 × 2 × 2 supercell (P42mc symmetry and C4v point group). Moreover, the energy band gap was calculated (Eg = 2.46 eV), and a strong hybridization of the O-2p and Ti-3d orbitals at Eg explained the nature of band-gap transition (Γ → Γ). [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 19961944
- Volume :
- 17
- Issue :
- 9
- Database :
- Academic Search Index
- Journal :
- Materials (1996-1944)
- Publication Type :
- Academic Journal
- Accession number :
- 177185131
- Full Text :
- https://doi.org/10.3390/ma17092089