najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМО10.17586/2220-8054-2023-14-2-208-215najo-141Research ArticlePHYSICSФИЗИКАSymmetry-based prediction of the type-II multiferroics with pyrochlore structureСимметрийный прогноз мультиферроиков II-го типа со структурой пирохлораhttps://orcid.org/0000-0002-1269-2521ТалановВ. М.TalanovV. M.

Valeriy M. Talanov

Novocherkassk, Rostov region, 346428

valtalanov@mail.ruhttps://orcid.org/0000-0002-5416-9579ТалановМ. В.TalanovM. V.

Mikhail V. Talanov

Novocherkassk, Rostov region, 346428

Rostov-on-Don, 344090

mvtalanov@gmail.comhttps://orcid.org/0000-0002-5267-2226ШироковВ. Б.ShirokovV. B.

Vladimir B. Shirokov

Novocherkassk, Rostov region, 346428

Rostov-on-Don, 344090

Rostov-on-Don, 344006

shirokov.ssc@gmail.comPlatov South-Russian State Polytechnic UniversityRussian FederationPlatov South-Russian State Polytechnic University; Southern Federal UniversityRussian FederationPlatov South-Russian State Polytechnic University; Southern Federal University; Southern Scientific Center of Russian Academy of SciencesRussian Federation202303062025142208215Copyright © Talanov V.M., Talanov M.V., Shirokov V.B., 20252025Таланов В.М., Таланов М.В., Широков В.Б.Talanov V.M., Talanov M.V., Shirokov V.B.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/141

Based on the symmetry related concept of the group theory we predict two structures with enan tiomorphic space groups PI43 and PI41. These phases arise as a result of spin ordering on 16d Wyckoff position in crystals with space group Fd3m. It is shown that PI43 and PI41 hypothetical magnetic structures are multiferroics of type II. The ferroelectric polarization emerges through a mechanism of the hybrid improper ferroelectricity allowing trilinear coupling of polarization and two other antiferromagnetic order parameters. In addition to improper ferroelectricity, the symmetry analysis proves the possible coexistence of other improper ferroic orders including orbital, ferroelastic, ferroelastoelectric, ferrobielastic, optical, ferroaxial, ferrotoroidic, gyrotropic and other crystal freedom degrees.

Основываясь на симметрийных теоретико-групповых расчетах, мы предсказываем две структуры с энантиоморфными пространственными группами PI43 и PI41. Эти фазы возникают в результате спинового упорядочения на позиции Уайкоффа 16d в кристаллах с пространственной группой . Показано, что гипотетические магнитные структуры PI43 и PI41 являются мультиферроиками II типа. Сегнетоэлектрическая поляризация возникает через механизм гибридного несобственного сегнетоэлектричества, допускающего трилинейную связь поляризации и двух других антиферромагнитных параметров порядка. В дополнение к несобственному сегнетоэлектричеству анализ симметрии выявляет сосуществование других несобственных ферроидных порядков, включая сегнетоэластичный, сегнетоэластоэлектрический, сегнетоэластичный и гиротропный.

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The authors declare that there are no conflicts of interest present.