Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2010-07-19
Phys. Rev. Lett. 106, 026401 (2011)
Physics
Condensed Matter
Strongly Correlated Electrons
4 pages, 3 figures, figures and text substantially improved. Title changed
Scientific paper
Cupric oxide is multiferroic at unusual high temperatures. From density functional calculations we find that the low-T magnetic phase is paraelectric and the higher-T one ferroelectric, with a size and direction of polarization in good agreement with experiment. By mapping of the ab initio results on an effective spin model we find with Monte Carlo that in the high-T magnetic state non-collinearity and inversion symmetry breaking stabilize each other via the Dzyaloshinskii Moriya interaction. This leads to a novel mechanism for multiferroicity, with the particular property that non-magnetic impurities enhance the effect.
Giovannetti Gianluca
Kumar Sanjeev
Lorenzana Jose
Picozzi Silvia
Stroppa Alessandro
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