Appearance of ferroelectricity in BaO nanowires

Details Appearance of ferroelectricity in BaO nanowires Appearance of ferroelectricity in BaO nanowires

2009-10-13

arxiv.org/abs/0910.2421v1

Physics

Condensed Matter

Materials Science

13 pages, 3 figure, 2 tables, 1 appendix

Scientific paper

We predict that ferroelectric phase can be induced by the strong intrinsic surface stress inevitably present under the curved surface in the high aspect ratio cylindrical nanoparticles of nonferroelectric binary oxides (BaO, EuO, MgO, etc). We calculated the sizes and temperature range of the ferroelectric phase in BaO nanowires. The analytical calculations were performed within Landau-Ginzburg-Devonshire theory with phenomenological parameters extracted from the first principle calculations [E. Bousquet et al, Strain-induced ferroelectricity in simple rocksalt binary oxides. arXiv:0906.4235v1] and tabulated experimental data. In accordance with our calculations BaO nanowires of radius ~(1-10) nm can be ferroelectric at room temperature (with spontaneous polarization values up to 0.5 C/m2) for the typical surface stress coefficients ~ (10-50) N/m. We hope that our prediction can stimulate both experimental studies of rocksalt binary oxides nanoparticles polar properties as well as the first principle calculations of their spontaneous dipole moment induced by the intrinsic stress under the curved surface.

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