Temperature induced structural and polarization features in BaFe12O19
Migas D.B. Turchenko V.A. Rutkauskas A.V. Trukhanov S.V. Zubar T.I. Tishkevich D.I. Trukhanov A.V. Skorodumova N.V.
22 August 2023Royal Society of Chemistry
Journal of Materials Chemistry C
2023#11Issue 3612406 - 12414 pp.
We report the observation of a peculiar polarization behavior of BaFe12O19 in electric field where the linear polarization is detected at temperatures below 150 K whereas at higher temperatures a hysteresis-like polarization response is observed. At the same time, the performed neutron diffraction analysis shows no variations in crystal or magnetic structures with temperature. Based on the results of ab initio calculations we suggest the mechanism able to explain the experimentally observed behavior. We show that specific Fe atoms do not occupy the positions formally assigned to them by the conventional centrosymmetric P63/mmc (#194) space group (z = 0.25; 0.75) as these positions correspond to local energy maxima. Instead, these Fe atoms are shifted along the z-axis to positions z = 0.259 (0.241) and z = 0.759 (0.741), which correspond to local energy minima. To an inversion center move between these minima Fe atoms need to overcome an energy barrier. This barrier is rather insignificant for smaller volumes but it becomes larger for expanded volumes due to coupling between the displacements of these Fe atoms. Additionally, our analysis suggests that the non-centrosymmetric and polar P63mc (#186) space group could be appropriate for the description of the BaFe12O19 structure.
Text of the article Перейти на текст статьи
Belarusian State University of Informatics and Radioelectronics, P. Browki 6, Minsk, 220013, Belarus
National Research Nuclear University, MEPhI, Moscow Engineering Physics Institute, Kashirskoe shosse 31, Moscow, 115409, Russian Federation
Joint Institute for Nuclear Research, 6 Joliot-Curie Str., Dubna, 141980, Russian Federation
SSPA Scientific-Practical Materials Research Centre of the NAS of Belarus, Minsk, 220072, Belarus
Smart Sensors Laboratory, NUST MISiS, Moscow, 119049, Russian Federation
L.N. Gumilyov Eurasian National University, Astana, 010000, Kazakhstan
Department of Materials and Engineering, Royal Institute of Technology (KTH), Stockholm, SE-10044, Sweden
Luleå University of Technology, Sweden
Belarusian State University of Informatics and Radioelectronics
National Research Nuclear University
Joint Institute for Nuclear Research
SSPA Scientific-Practical Materials Research Centre of the NAS of Belarus
Smart Sensors Laboratory
L.N. Gumilyov Eurasian National University
Department of Materials and Engineering
Luleå University of Technology
10 лет помогаем публиковать статьи Международный издатель
Книга Публикация научной статьи Волощук 2026 Book Publication of a scientific article 2026