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Magnetic and electric phase control in epitaxial EuTiO$_3$ from first principles | Craig J. Fennie
; Karin M. Rabe
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26 Jun 2006 | Subject: | Materials Science | Abstract: | There is great interest in multiferroic materials in which ferroelectric and ferromagnetic ordering not only coexist, but in which the electrical polarization and the magnetization are also strongly coupled~cite{fiebig.review,spaldin.fiebig}. With recent successes in the application of first-principles density-functional methods to the design of new multiferroics~cite{ederer.review}, the focus has now turned to how to produce a strong coupling between the two distinct order parameters~cite{tokura.2006}. In this paper, we present a first-principles calculation of the ground-state epitaxial phase diagram for the magnetic perovskite EuTiO$_3$. Epitaxial strain can have profound effects on the properties of thin films, even driving systems through phase transitions. We show that in EuTiO$_3$, epitaxial strain can be used to dial into the region of the phase diagram where, due to spin-phonon coupling, magnetic (electric) phase control can be achieved by an applied electric (magnetic) field. This phase-control region is bordered by a divergent magnetocapacitance on the low strain side and a phase transition from the non-polar antiferromagnetic phase to a previously unknown ferroelectric-ferromagnetic phase on the high strain side. This work is a realization of a new approach for achieving ferroelectricity with substantial polarization whose origin lies in the ordering of spins. | Source: | arXiv, cond-mat/0606664 | Services: | Forum | Review | PDF | Favorites |
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