Magnetically-Driven Ferroelectric Atomic Displacements in perovskite like YMnO3

Details Magnetically-Driven Ferroelectric Atomic Displacements in perovskite like YMnO3 Magnetically-Driven Ferroelectric Atomic Displacements in perovskite like YMnO3

2011-07-13

arxiv.org/abs/1107.2467v1

Phys. Rev. B 84, 054440 (2011)

Physics

Condensed Matter

Strongly Correlated Electrons

8 pages, 5 figures, 2 tables

Scientific paper

10.1103/PhysRevB.84.054440

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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