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Temperature induced structural and polarization features in BaFe12O19

Migas, Dmitry B. (author)
Belarusian State Univ Informat & Radioelect, P Browki 6, Minsk 220013, BELARUS.;Natl Res Nucl Univ, MEPhI Moscow Engn Phys Inst, Kashirskoe Shosse 31, Moscow 115409, Russia.
Turchenko, Vitaliy A. (author)
Joint Inst Nucl Res, 6 Joliot Curie Str, Dubna 141980, Russia.
Rutkauskas, A. V. (author)
Joint Inst Nucl Res, 6 Joliot Curie Str, Dubna 141980, Russia.
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Trukhanov, Sergey V. (author)
NAS Belarus, SSPA Sci Pract Mat Res Ctr, Minsk 220072, BELARUS.;NUST MISiS, Smart Sensors Lab, Moscow 119049, Russia.
Zubar, Tatiana I. (author)
NAS Belarus, SSPA Sci Pract Mat Res Ctr, Minsk 220072, BELARUS.
Tishkevich, Daria I. (author)
NAS Belarus, SSPA Sci Pract Mat Res Ctr, Minsk 220072, BELARUS.
Trukhanov, Alex V. (author)
NAS Belarus, SSPA Sci Pract Mat Res Ctr, Minsk 220072, BELARUS.;NUST MISiS, Smart Sensors Lab, Moscow 119049, Russia.;LN Gumilyov Eurasian Natl Univ, Astana 010000, Kazakhstan.
Skorodumova, Natalia (author)
KTH,Strukturer,Luleå Univ Technol, Luleå, Sweden
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Belarusian State Univ Informat & Radioelect, P Browki 6, Minsk 220013, BELARUS;Natl Res Nucl Univ, MEPhI Moscow Engn Phys Inst, Kashirskoe Shosse 31, Moscow 115409, Russia. Joint Inst Nucl Res, 6 Joliot Curie Str, Dubna 141980, Russia. (creator_code:org_t)
Royal Society of Chemistry (RSC), 2023
2023
English.
In: Journal of Materials Chemistry C. - : Royal Society of Chemistry (RSC). - 2050-7526 .- 2050-7534. ; 11:36, s. 12406-12414
Related links:
https://urn.kb.se/re...
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https://doi.org/10.1...
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  • Journal article (peer-reviewed)
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  • 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 P6(3)/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 P6(3)mc (#186) space group could be appropriate for the description of the BaFe12O19 structure.

Subject headings

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

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