Experimental and theoretical study of nanostructured Ca1-xGdxMnO3 (x=0.05; 0.1; 0.15; 0.2)
Аутори
Rosić, MilenaMilivojević, Dušan
Labus, Nebojša
Čebela, Maria
Dodevski, Vladimir
Jordanov, Dragana
Stojmenović, Marija
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Experimental and theoretical methods have been used to investigate the octahedral tilting and related effects of Ca 1-x Gdx MnO3 (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 a-b+a- tilt system. Bond valence calculations (BVC) have shown ten additional perovskite-related modifications of the equilibrium Ca 1-x Gdx MnO3 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 Mn 3+ in the system. BVCapproach is a simple, fast and efficient way of calculating the amount of Mn 4+ and Mn 3+ in the doped perovskite compound, which, to the best of our knowledge, has not been ...done before. The infrared reflection spectra of Ca 1-x Gdx MnO3 samples confirmed XRD results that Ca 1-x Gdx MnO3 nanopowders are of Pnma-1 structure and that the tilting of octahedra are increased with Gddoping. The EPR (electron paramagnetic resonance) 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.
Извор:
Advanced Ceramics and Application : 9th Serbian Ceramic Society Conference : program and the book of abstracts; September 20-21, 2021; Belgrade, 2021, 70-Издавач:
- Belgrade : Serbian Ceramic Society
Напомена:
- IX Serbian Ceramic Society Conference - Advanced Ceramics and Application : new frontiers in multifunctional material science and processing : program and the book of abstracts; September 20-21, 2021; Belgrade
Колекције
Институција/група
VinčaTY - CONF AU - Rosić, Milena AU - Milivojević, Dušan AU - Labus, Nebojša AU - Čebela, Maria AU - Dodevski, Vladimir AU - Jordanov, Dragana AU - Stojmenović, Marija PY - 2021 UR - https://vinar.vin.bg.ac.rs/handle/123456789/10812 AB - Experimental and theoretical methods have been used to investigate the octahedral tilting and related effects of Ca 1-x Gdx MnO3 (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 a-b+a- tilt system. Bond valence calculations (BVC) have shown ten additional perovskite-related modifications of the equilibrium Ca 1-x Gdx MnO3 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 Mn 3+ in the system. BVCapproach is a simple, fast and efficient way of calculating the amount of Mn 4+ and Mn 3+ in the doped perovskite compound, which, to the best of our knowledge, has not been done before. The infrared reflection spectra of Ca 1-x Gdx MnO3 samples confirmed XRD results that Ca 1-x Gdx MnO3 nanopowders are of Pnma-1 structure and that the tilting of octahedra are increased with Gddoping. The EPR (electron paramagnetic resonance) 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. PB - Belgrade : Serbian Ceramic Society C3 - Advanced Ceramics and Application : 9th Serbian Ceramic Society Conference : program and the book of abstracts; September 20-21, 2021; Belgrade T1 - Experimental and theoretical study of nanostructured Ca1-xGdxMnO3 (x=0.05; 0.1; 0.15; 0.2) SP - 70 UR - https://hdl.handle.net/21.15107/rcub_vinar_10812 ER -
@conference{ author = "Rosić, Milena and Milivojević, Dušan and Labus, Nebojša and Čebela, Maria and Dodevski, Vladimir and Jordanov, Dragana and Stojmenović, Marija", year = "2021", abstract = "Experimental and theoretical methods have been used to investigate the octahedral tilting and related effects of Ca 1-x Gdx MnO3 (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 a-b+a- tilt system. Bond valence calculations (BVC) have shown ten additional perovskite-related modifications of the equilibrium Ca 1-x Gdx MnO3 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 Mn 3+ in the system. BVCapproach is a simple, fast and efficient way of calculating the amount of Mn 4+ and Mn 3+ in the doped perovskite compound, which, to the best of our knowledge, has not been done before. The infrared reflection spectra of Ca 1-x Gdx MnO3 samples confirmed XRD results that Ca 1-x Gdx MnO3 nanopowders are of Pnma-1 structure and that the tilting of octahedra are increased with Gddoping. The EPR (electron paramagnetic resonance) 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.", publisher = "Belgrade : Serbian Ceramic Society", journal = "Advanced Ceramics and Application : 9th Serbian Ceramic Society Conference : program and the book of abstracts; September 20-21, 2021; Belgrade", title = "Experimental and theoretical study of nanostructured Ca1-xGdxMnO3 (x=0.05; 0.1; 0.15; 0.2)", pages = "70", url = "https://hdl.handle.net/21.15107/rcub_vinar_10812" }
Rosić, M., Milivojević, D., Labus, N., Čebela, M., Dodevski, V., Jordanov, D.,& Stojmenović, M.. (2021). Experimental and theoretical study of nanostructured Ca1-xGdxMnO3 (x=0.05; 0.1; 0.15; 0.2). in Advanced Ceramics and Application : 9th Serbian Ceramic Society Conference : program and the book of abstracts; September 20-21, 2021; Belgrade Belgrade : Serbian Ceramic Society., 70. https://hdl.handle.net/21.15107/rcub_vinar_10812
Rosić M, Milivojević D, Labus N, Čebela M, Dodevski V, Jordanov D, Stojmenović M. Experimental and theoretical study of nanostructured Ca1-xGdxMnO3 (x=0.05; 0.1; 0.15; 0.2). in Advanced Ceramics and Application : 9th Serbian Ceramic Society Conference : program and the book of abstracts; September 20-21, 2021; Belgrade. 2021;:70. https://hdl.handle.net/21.15107/rcub_vinar_10812 .
Rosić, Milena, Milivojević, Dušan, Labus, Nebojša, Čebela, Maria, Dodevski, Vladimir, Jordanov, Dragana, Stojmenović, Marija, "Experimental and theoretical study of nanostructured Ca1-xGdxMnO3 (x=0.05; 0.1; 0.15; 0.2)" in Advanced Ceramics and Application : 9th Serbian Ceramic Society Conference : program and the book of abstracts; September 20-21, 2021; Belgrade (2021):70, https://hdl.handle.net/21.15107/rcub_vinar_10812 .