Magnetically-Driven Ferroelectric Atomic Displacements in perovskite like YMnO3

Autor: Okuyama, D., Ishiwata, S., Takahashi, Y., Yamauchi, K., Picozzi, S., Sugimoto, K., Sakai, H., Takata, M., Shimano, R., Taguchi, Y., Arima, T., Tokura, Y.
Rok vydání: 2011
Předmět:
Zdroj: Phys. Rev. B 84, 054440 (2011)
Druh dokumentu: Working Paper
DOI: 10.1103/PhysRevB.84.054440
Popis: 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.
Comment: 8 pages, 5 figures, 2 tables
Databáze: arXiv