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Structural Domain Walls in Polar Hexagonal Manganites

Materials Science 2015-06-05 v1 Strongly Correlated Electrons

Abstract

We present a microscopic first-principles study of the neutral structural domain walls (DWs) in the multiferroic hexagonal manganites, which have been shown to exhibit cross-couplings between ferroelectricity and struc- tural antiphase. We find that, in contradiction with previously proposed models, the interlocked antiphase- ferroelectric domain walls have approximately zero width, and their energy is lower than that of antiphase-only or ferroelectric-only domain walls. Furthermore, we show that the ferroelectric-only and antiphase-only DWs are superpositions of interlocked antiphase ferroelectric (AP+FE) DWs and intermediate domains inevitably exist through the DWs. Our results shed light on the question of why only AP+FE DWs are observed and how the topological defects emerge in polar hexagonal manganites.

Keywords

Cite

@article{arxiv.1207.4080,
  title  = {Structural Domain Walls in Polar Hexagonal Manganites},
  author = {Yu Kumagai and Nicola A. Spaldin},
  journal= {arXiv preprint arXiv:1207.4080},
  year   = {2015}
}

Comments

7 pages, 9 figures

R2 v1 2026-06-21T21:37:14.469Z