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Magnetically-Driven Ferroelectric Atomic Displacements in perovskite like YMnO3

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arxiv 1107.2467 v1 pith:OY7BCJL5 submitted 2011-07-13 cond-mat.str-el

Magnetically-Driven Ferroelectric Atomic Displacements in perovskite like YMnO3

D. Okuyama , S. Ishiwata , Y. Takahashi , K. Yamauchi , S. Picozzi , K. Sugimoto , H. Sakai , M. Takata
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R. Shimano Y. Taguchi T. Arima Y. Tokura
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classification cond-mat.str-el
keywords atomicdisplacementsdownarrowferroelectriclikemagnetically-drivenobservedperovskite
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Magnetically-driven ferroelectric atomic displacements of the order of 10$^{-3} Angstrom have been observed in orthorhombic (perovskite like) YMnO$_3$ by a single-crystal synchrotron x-ray diffraction. The refined polar structure shows the characteristic bond alternation driven by the exchange striction in staggered Mn-O-Mn arrays with $\uparrow\uparrow\downarrow\downarrow$ type ordering, giving rise to a spontaneous polarization along a-axis. First-principles calculations based on the Berry phase method as well as on the experimentally refined crystal structure can reproduce the observed polarization value.

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