| Autor: |
Rosić, Milena, Čebela, Maria, Gulicovski, Jelena, Dodevski, Vladimir, Krstić, Sanja S., Kragović, Milan |
| Jazyk: |
angličtina |
| Rok vydání: |
2022 |
| Zdroj: |
Advanced Ceramics and Application : 10th Serbian Ceramic Society Conference : program and the book of abstracts; September 26-27, 2022; Belgrade |
| Popis: |
We have used theoretical and experimental methods to investigate the octahedral tilting and related effects of Ca1-xGdxMnO3 (x=0.05, 0.1, 0.15, 0.2) compound. Both methods have shown that orthorhombic-perovskite structure (space group Pnma) is the most stable form and according to Glazer's classification belongs to ab+ a - tilt system. Our bond valence calculations (BVC) have shown ten additional perovskite-related modifications of the equilibrium Ca1-xGdxMnO3 structure, and their stability has been investigated as function of Gd doping. We have further studied the influence of gadolinium amount on Mn-О bond angles and distances, tilting of MnO6 octahedra around all three axes and deformation due to the presence of Jahn-Teller distortion around Mn3+ cation, and calculated the amount of Mn3+ in the system. The infrared reflection spectra of Ca1-xGdxMnO3 samples confirmed XRD results that Ca1-xGdxMnO3 nanopowders are of Pnma-1 structure and that the tilting of octahedra are increased with Gd doping. The EPR spectra are in accordance with the assumption that EPR linewidth is Mn-O-Mn angle dependent. The studied samples showed that small octahedra tilting in these samples brought only a small change of the EPR linewidth. X Serbian Ceramic Society Conference - Advanced Ceramics and Application : new frontiers in multifunctional material science and processing : program and the book of abstracts; September 26-27, 2022; Belgrade |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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