caa a22 4500 445380136 CHVBK 20180317143014.0 cr unu---uuuuu 170323e20111001xx s 000 0 eng 10.1007/s10948-011-1178-5 doi (NATIONALLICENCE)springer-10.1007/s10948-011-1178-5 Magnetoelectric Ordering of BiFeO3 from the Perspective of Crystal Chemistry [Elektronische Daten] [L. Volkova, D. Marinin] In this paper we examine the role of crystal chemistry factors in creating conditions for formation of magnetoelectric ordering in BiFeO3. It is generally accepted that the main reason of the ferroelectric distortion in BiFeO3 is concerned with a stereochemical activity of the Bi lone pair. However, the lone pair is stereochemically active in the paraelectric orthorhombic ß-phase as well. We demonstrate that a crucial role in emerging of phase transitions of the metal-insulator, paraelectric-ferroelectric and magnetic disorder-order types belongs to the change of the degree of the lone pair stereochemical activity—its consecutive increase with the temperature decrease. Using the structural data, we calculated the sign and strength of magnetic couplings in BiFeO3 in the range from 945 °C down to 25 °C and found the couplings, which undergo the antiferromagnetic → ferromagnetic transition with the temperature decrease and give rise to the antiferromagnetic ordering and its delay in regard to temperature, as compared to the ferroelectric ordering. We discuss the reasons of emerging of the spatially modulated spin structure and its suppression by doping with La3+. Springer Science+Business Media, LLC, 2011 Magnetoelectric ordering nationallicence BiFeO3 nationallicence Lone pair nationallicence Insulator-metal transition nationallicence Volkova L. Institute of Chemistry, Far Eastern Branch of Russian Academy of Science, 159, 100-Let Prosp., 690022, Vladivostok, Russia aut Marinin D. Institute of Chemistry, Far Eastern Branch of Russian Academy of Science, 159, 100-Let Prosp., 690022, Vladivostok, Russia aut Journal of Superconductivity and Novel Magnetism Springer US; http://www.springer-ny.com 24/7(2011-10-01), 2161-2177 1557-1939 24:7<2161 2011 24 10948 https://doi.org/10.1007/s10948-011-1178-5 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10948-011-1178-5 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Volkova L. Institute of Chemistry, Far Eastern Branch of Russian Academy of Science, 159, 100-Let Prosp., 690022, Vladivostok, Russia aut NATIONALLICENCE 700 1- Marinin D. Institute of Chemistry, Far Eastern Branch of Russian Academy of Science, 159, 100-Let Prosp., 690022, Vladivostok, Russia aut NATIONALLICENCE 773 0- Journal of Superconductivity and Novel Magnetism Springer US; http://www.springer-ny.com 24/7(2011-10-01), 2161-2177 1557-1939 24:7<2161 2011 24 10948 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer