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Influence of magnetic ordering on structural instabilities in insulating perovskites

Abstract: We propose a general model, based on Anderson superexchange and the pseudo Jahn-Teller effect, to explain why ferroelectric and octahedral tilting distortions are favored by ferromagnetic ordering when compared to antiferromagnetic tilting distortions in ABX3 (A = alkali, alkaline-earth ion, f-filling rare earth; B = magnetic transition-metal ion; X = O2?, F?) perovskite crystals. Ab initio calculations are used to check the model under a wide range of pressures for oxides and fluorides, with the latter displaying an enhancement of the ferroelectric distortion when pressure is increased.

 Autoría: Garcia-Fernandez P., Aramburu J.A., Moreno M.,

 Fuente: Physical Review B 2011, 83, 174406

 Editorial: American Physical Society

 Año de publicación: 2011

 Nº de páginas: 5

 Tipo de publicación: Artículo de Revista

 DOI: 10.1103/PhysRevB.83.174406

 ISSN: 1098-0121,1550-235X,2469-9950,2469-9969

 Proyecto español: FIS2009-07083

 Url de la publicación: https://doi.org/10.1103/PhysRevB.83.174406