INVESTIGADORES
TINTE silvia Noemi
congresos y reuniones científicas
Título:
Multiferroic behavior of Aurivillius Bi4Mn3O12 from first-principles
Autor/es:
SILVIA TINTE
Lugar:
Buenos Aires
Reunión:
Congreso; At the Frontiers of Condensed Matter VI; 2012
Institución organizadora:
CNEA - UNSAM
Resumen:
Multiferroic materials, exhibiting both ferroelectricity and magnetic order in the same phase, are ofparticular interest for their potential technological applications. One of the current trends in thesearching of new multiferroic compound is, starting from a ferroelectric host, to incorporatemagnetically active species and check whether it is (anti)ferromagnetic and insulating.In this work, on the basis of density functional calculations we investigate the multiferroic behavior ofthe hypothetical three-layer Aurivillius compound Bi4Mn3O12 which results of substituting the three B-site Ti+4 ions by magnetically active Mn+4 in the lattice of the prototypical ferroelectric Bi4Ti3O12. Wefind that the tetragonal paraelectric phase of Bi4Mn3O12 is ferromagnetic, showing ferroelectric andantiferrodistortive instabilities similar to the ones observed in its ferroelectric parent compoundBi4Ti3O12. Our results indicate however that the presence of Mn+4 ions shrinks the cell volume andconsequently the unstable polar mode, associated to the ferroelectric polarization, is overcame by anantiferrodistortive distortion. In this way, Bi4Mn3O12 exhibits incipient ferroelectricity at its equilibriumvolume. Finally we investigate the possibility to favor the ferroelectric distortion by strain andchemical engineering.