Chemical and structural analysis related to defects in nanocrystalline Ba1−xSrxTiO3 grown via hydrothermal sol–gel
Source abstract
Abstract
Abstract The chemical and structural properties of Ba 1− x Sr x TiO 3 (BST, x =0–1) nanoparticles synthesised via sol–gel–hydrothermal were analysed. Two types of salts of Ba (BaCl 2 and Ba(OH) 2 ) and Sr (SrCl 2 and Sr(OH) 2 ) as starting reactants were used to compare two synthesis methods. Chemical characterisation and oxidation states were obtained using X-ray photoelectron spectroscopy. Structural information was acquired by Raman spectroscopy, and calculations to obtain theoretical Raman spectra associated with the different formed phases of BST were performed for comparison. The results were consistent with the presence of oxygen vacancies in all of the compounds synthesised, but the use of hydroxide salts introduced a minor concentration of oxygen vacancies into the BST compounds. In addition, the presence of oxygen vacancies produced an increase of the intensity of first-order modes of vibration and a minor oxidation state of the Ti atom in the structure. Finally, the oxygen vacancies produced a distortion of the structure, inducing the existence of the non-perovskite phase.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Ferroelectric and Piezoelectric Materials · Electronic and Structural Properties of Oxides · Microwave Dielectric Ceramics Synthesis
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (45)
Show source-provided references
1. Progress in the developments of (Ba,Sr)TiO3 (BST) thin films for Gigabit era DRAMs10.1016/S0254-0584(00)00253-4 ↗
2. Investigation on the dielectric properties of (Ba,Sr)TiO3 thin films on hybrid electrodes10.1016/j.matchemphys.2009.12.035 ↗
3. Barium strontium titanate-based perovskite materials for microwave applications10.1016/j.progsolidstchem.2007.01.017 ↗
4. Effect of SrTiO3 concentration and sintering temperature on microstructure and dielectric constant of Ba1−xSrxTiO310.1016/S0955-2219(03)00385-6 ↗
5. Preparation of BaxSr1−xTiO3 (x=0–1) nanoparticles by wet-chemical decomposition of Ti-complex and study their dielectric properties10.1016/j.jallcom.2008.09.020 ↗
6. Structure and ferroelectric properties of barium titanate films synthesised by sol–gel method10.1016/j.matchemphys.2011.01.006 ↗
7. Dielectric properties of barium strontium titanate (BST) ceramics synthesised by using mixed-phase powders calcined at varied temperatures10.1016/j.matlet.2012.02.045 ↗
8. Morphologies and crystal structures of nano-sized Ba1−xSrxTiO3 primary particles prepared by flame spray pyrolysis10.1016/j.materresbull.2007.07.011 ↗
9. Development of pyroelectric-ceramics for high-temperature applications10.1016/j.mseb.2009.01.007 ↗
10. Microwave-hydrothermal synthesis of barium strontium titanate nanoparticles10.1016/j.jallcom.2010.08.143 ↗
11. Composition and shape control of single-crystalline Ba1−xSrxTiO3 (x=0–1) nanocrystals via a solvothermal route10.1016/j.jcrysgro.2008.04.039 ↗
12. Hydrothermal synthesis of BaTiO3from different Ti-precursors and microstructural and electrical properties of sintered samples with submicrometric grain size10.1016/j.ceramint.2011.03.032 ↗
13. Composite structure and size effect of barium titanate nanoparticles10.1063/1.3027067 ↗
14. Ferromagnetism as a universal feature of nanoparticles of the otherwise nonmagnetic oxides10.1103/PhysRevB.74.161306 ↗
15. Self-assembly of point defects into clusters and defectfree regions: a simulation study of higher-valent substituted ferroelectric perovskites10.1016/S0927-0256(03)00096-X ↗
16. Grain size effect on the dielectric nonlinearity of BaTiO3 ceramics10.1063/1.3428423 ↗
17. S. Fuentes, E. Chávez, L. Padilla-Campos, D.E. Diaz-Droguett, Ceram. Int., 10.1016/j.bbr.2011.03.031.10.1016/j.bbr.2011.03.031 ↗
18. Density‐functional thermochemistry. III. The role of exact exchange10.1063/1.464913 ↗
19. Density-functional exchange-energy approximation with correct asymptotic behavior10.1103/PhysRevA.38.3098 ↗
20. Results obtained with the correlation energy density functionals of Becke and Lee, Yang and Parr10.1016/0009-2614(89)87234-3 ↗
21. Development of the Colle–Salvetti correlation-energy formula into a functional of the electron density10.1103/PhysRevB.37.785 ↗
22. Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules10.1063/1.1677527 ↗
23. Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg10.1063/1.448799 ↗
24. Ab initio calculations of the atomic and electronic structure of layered Ba0.5Sr0.5TiO3 structures10.1016/j.mseb.2004.12.012 ↗
25. Structural ordering transition and repulsion of the giant LO–TO splitting in polycrystalline BaxSr1−xTiO310.1103/PhysRevB.64.224103 ↗
26. Structural analysis of nanocrystalline BaTiO310.1016/j.molstruc.2010.09.017 ↗
27. A new population analysis based on atomic polar tensor10.1021/ja00204a001 ↗
28. Frisch · 2010
29. Raman spectroscopy of ferroelectric thin films and superlattices10.1111/j.1551-2916.2008.02371.x ↗
30. Raman study of barium titanate with oxygen vacancies10.1016/j.physb.2011.09.046 ↗
31. Investigation of structural phase transition in polycrystalline SrTiO3 thin films by Raman spectroscopy10.1016/j.ssc.2004.03.039 ↗
32. Optical detection of symmetry breaking on a nanoscale in SrTiO3:Ca10.1080/00150199708012832 ↗
33. Electric-field-induced soft-mode hardening in SrTiO3 films10.1103/PhysRevLett.84.4625 ↗
34. Raman Spectrum of strontium titanate10.1063/1.1669418 ↗
35. Disorder manifestation in the light scattering spectra of SrTiO3 at high temperatures10.1080/00150198008207086 ↗
36. Synthesis dependent first orden raman scattering in SrTiO3 nanocubes at room temperature10.1021/cm801192t ↗
37. Lattice dynamics in BaxSr1−xTiO3 single crystals: a Raman study10.1103/PhysRevB.70.174302 ↗
38. X-ray photoelectron spectroscopy of amorphous and quasiamorphous phases of BaTiO3 and SrTiO310.1103/PhysRevB.77.184106 ↗
39. Chemical states change at (Ba,Sr)TiO3/Pt interfaces investigated by X-ray photoelectron spectroscopy10.1088/0022-3727/42/8/085302 ↗
40. The influence of post-annealing on the chemical structures and dielectric properties of the surface layer of Ba0.6Sr0.4TiO3 films10.1088/0022-3727/39/11/024 ↗
41. Effect of oxygen gas and annealing treatment for magnetically enhanced reactive ion etched (Ba0.65,Sr0.35)TiO3 thin films10.1063/1.2402100 ↗
42. X-ray photoelectron spectroscopy study on the composition and structure of BaTiO3 thin films deposited on silicon10.1016/S0169-4332(99)00495-X ↗
43. Kaplan · 1995
44. Theoretical study of the adsorption of oxygen on a Cu(100) surface and the coadsorption with alkali atoms10.1007/s00214-003-0496-5 ↗
45. A theoretical investigation of occupation sites for tritium atoms in lithium titanate10.1016/S0166-1280(02)00538-9 ↗