Magnetoelectric response of multiferroic BiFeO3 and related materials

Physics – Condensed Matter – Materials Science

Scientific paper

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4 pages with 1 figure embedded. More information at http://www.icmab.es/dmmis/leem/jorge

Scientific paper

10.1103/PhysRevLett.103.267205

We present a first-principles scheme for computing the magnetoelectric response of multiferroics. We apply our method to BiFeO3 (BFO) and related compounds in which Fe is substituted by other magnetic species. We show that under certain relevant conditions -- i.e., in absence of incommensurate spin modulation, as in BFO thin films and some BFO-based solid solutions -- these materials display a large linear magnetoelectric response. Our calculations reveal the atomistic origin of the coupling and allow us to identify the most promising strategies to enhance it.

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