Valdirlei F. Freitas, Diogo Z. Montanher, Taiana G. M. Bonadio, Luiz F. Cótica, Vera L. Mazzocchi, José Mestnik Filho, Carlos B. Ramos Parente, Ducinei Garcia, José A. Eiras e Ivair A. Santos

JOURNAL OF APPLIED PHYSIC – Volume: 114; Issue: 13; Article Number: 134102; DOI: 10.1063/1.4824283

Structural, ferroelectric, and magnetic arrangements, and electron density in the vicinity of cations, were modeled from high-resolution X-ray and neutron powder diffraction data in La modified BiFeO3-PbTiO3 compounds. Important features for controlling the intrinsic mechanism for the magnetoelectric coupling in these materials, as prototypes for perovskite structured magnetoelectric multiferroics, are pointed out and discussed. It is shown that the magnetoelectric coupling angle is governed by covalent-like forces, which also affect the structural and ferroelectric distortions in the unit cell.