Magneto-electric multiferroics have attracted a huge interest over the last decade, both experimentally and theoretically. First-principles calculations did not only contribute to the fundamental understanding of prototypical systems but also revealed as a powerful tool to propose and explore new pathways to achieve strong coupling between the electric and magnetic properties. This Review aims at highlighting key advances in the field of magneto-electric multiferroics, to which first-principles methods have contributed significantly.
Novel magneto-electric multiferroics from first-principles calculations. J. Varignon, N. C. Bristowe, E. Bousquet and Ph. Ghosez, C. R. Physique 16, 153 (2015)
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