New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data
Abstract
Neutron powder diffraction (NPD) was employed to further investigate the BaTi1−xSnxO3 (BTS) system previously studied by X-ray diffraction. The room-temperature phase compositions and crystal structures of BTS samples with x = 0, 0.025, 0.05, 0.07, 0.10, 0.12, 0.15 and 0.20 were refined by the Rietveld method using NPD data. It is well known that barium titanate powder (x = 0) crystallizes in the tetragonal P4mm space group. The crystal structures of the samples with 0.025 ≤ x ≤ 0.07 were refined as mixtures of P4mm and Amm2 phases; those with x = 0.1 and 0.12 show the coexistence of rhombohedral R3m and cubic phases, while the samples with x = 0.15 and 0.20 crystallize in a single cubic [Pm3m] phase. Temperature-dependent NPD was used to characterize the BaTi0.95Sn0.05O3 sample at 273, 333 and 373 K, and it was found to form single-phase Amm2, P4mm and [Pm3m] structures at these respective temperatures. The NPD results are in agreement with data obtained by differential scanning calor...imetry and dielectric permittivity measurements, which show a paraelectric–ferroelectric transition (associated with structural transition) from [Pm3m] to P4mm at about 353 K followed by a P4mm to Amm2 phase transition at about 303 K.
Keywords:
barium titanate stannate / neutron powder diffraction / Rietveld refinementSource:
Journal of Applied Crystallography, 2016, 49, 1726-1733Publisher:
- International Union of Crystallography
Funding / projects:
- Molecular designing of nanoparticles with controlled morphological and physicochemical characteristics and functional materials based on them (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45004)
DOI: 10.1107/S1600576716013157
ISSN: 1600-5767
WoS: 000388354800037
Scopus: 2-s2.0-84989828258
Institution/Community
Институт техничких наука САНУ / Institute of Technical Sciences of SASATY - JOUR AU - Veselinović, Ljiljana AU - Mitrić, Miodrag AU - Avdeev, Maxim AU - Marković, Smilja AU - Uskoković, Dragan PY - 2016 UR - https://dais.sanu.ac.rs/123456789/2328 AB - Neutron powder diffraction (NPD) was employed to further investigate the BaTi1−xSnxO3 (BTS) system previously studied by X-ray diffraction. The room-temperature phase compositions and crystal structures of BTS samples with x = 0, 0.025, 0.05, 0.07, 0.10, 0.12, 0.15 and 0.20 were refined by the Rietveld method using NPD data. It is well known that barium titanate powder (x = 0) crystallizes in the tetragonal P4mm space group. The crystal structures of the samples with 0.025 ≤ x ≤ 0.07 were refined as mixtures of P4mm and Amm2 phases; those with x = 0.1 and 0.12 show the coexistence of rhombohedral R3m and cubic phases, while the samples with x = 0.15 and 0.20 crystallize in a single cubic [Pm3m] phase. Temperature-dependent NPD was used to characterize the BaTi0.95Sn0.05O3 sample at 273, 333 and 373 K, and it was found to form single-phase Amm2, P4mm and [Pm3m] structures at these respective temperatures. The NPD results are in agreement with data obtained by differential scanning calorimetry and dielectric permittivity measurements, which show a paraelectric–ferroelectric transition (associated with structural transition) from [Pm3m] to P4mm at about 353 K followed by a P4mm to Amm2 phase transition at about 303 K. PB - International Union of Crystallography T2 - Journal of Applied Crystallography T1 - New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data SP - 1726 EP - 1733 VL - 49 DO - 10.1107/S1600576716013157 UR - https://hdl.handle.net/21.15107/rcub_dais_2328 ER -
@article{ author = "Veselinović, Ljiljana and Mitrić, Miodrag and Avdeev, Maxim and Marković, Smilja and Uskoković, Dragan", year = "2016", abstract = "Neutron powder diffraction (NPD) was employed to further investigate the BaTi1−xSnxO3 (BTS) system previously studied by X-ray diffraction. The room-temperature phase compositions and crystal structures of BTS samples with x = 0, 0.025, 0.05, 0.07, 0.10, 0.12, 0.15 and 0.20 were refined by the Rietveld method using NPD data. It is well known that barium titanate powder (x = 0) crystallizes in the tetragonal P4mm space group. The crystal structures of the samples with 0.025 ≤ x ≤ 0.07 were refined as mixtures of P4mm and Amm2 phases; those with x = 0.1 and 0.12 show the coexistence of rhombohedral R3m and cubic phases, while the samples with x = 0.15 and 0.20 crystallize in a single cubic [Pm3m] phase. Temperature-dependent NPD was used to characterize the BaTi0.95Sn0.05O3 sample at 273, 333 and 373 K, and it was found to form single-phase Amm2, P4mm and [Pm3m] structures at these respective temperatures. The NPD results are in agreement with data obtained by differential scanning calorimetry and dielectric permittivity measurements, which show a paraelectric–ferroelectric transition (associated with structural transition) from [Pm3m] to P4mm at about 353 K followed by a P4mm to Amm2 phase transition at about 303 K.", publisher = "International Union of Crystallography", journal = "Journal of Applied Crystallography", title = "New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data", pages = "1726-1733", volume = "49", doi = "10.1107/S1600576716013157", url = "https://hdl.handle.net/21.15107/rcub_dais_2328" }
Veselinović, L., Mitrić, M., Avdeev, M., Marković, S.,& Uskoković, D.. (2016). New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data. in Journal of Applied Crystallography International Union of Crystallography., 49, 1726-1733. https://doi.org/10.1107/S1600576716013157 https://hdl.handle.net/21.15107/rcub_dais_2328
Veselinović L, Mitrić M, Avdeev M, Marković S, Uskoković D. New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data. in Journal of Applied Crystallography. 2016;49:1726-1733. doi:10.1107/S1600576716013157 https://hdl.handle.net/21.15107/rcub_dais_2328 .
Veselinović, Ljiljana, Mitrić, Miodrag, Avdeev, Maxim, Marković, Smilja, Uskoković, Dragan, "New insights into BaTi1–xSnxO3 (0 ≤ x ≤ 0.20) phase diagram from neutron diffraction data" in Journal of Applied Crystallography, 49 (2016):1726-1733, https://doi.org/10.1107/S1600576716013157 ., https://hdl.handle.net/21.15107/rcub_dais_2328 .