Influence of strain and oxygen vacancies on the magnetoelectric properties of multiferroic bismuth ferrite

By C. Ederer, N. Spaldin. 2005

352 citations recorded by the source corpus.

The dependencies on strain and oxygen vacancies of the ferroelectric polarization and the weak ferromagnetic magnetization in the multiferroic material bismuth ferrite, $\mathrm{Bi}\mathrm{Fe}{\mathrm{O}}_{3}$, are investigated using first principles density functional theory calculations. The electric polarization is found to be rather independent of strain, in striking contrast to most conventional perovskite ferroelectrics. It is also not significantly affected by oxygen vacancies, or by the combined presence of strain and oxygen vacancies. The magnetization is also unaffected by strain, however, the incorporation of oxygen vacancies can alter the magnetization slightly, and also leads to the formation of ${\mathrm{Fe}}^{2+}$. These results are discussed in light of recent experiments on epitaxial films of $\mathrm{Bi}\mathrm{Fe}{\mathrm{O}}_{3}$, which reported a strong thickness dependence of both magnetization and polarization.

Subfields: Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/f8715b6e70cda4de35eedaa1354d3adb36e662c0

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In Electronic, Optical and Magnetic Materials

1. Ramamoorthy Ramesh
2. Darrell Schlom
3. N. Spaldin
4. Y. Chu
5. Long-qing Chen
6. C. Eom
7. J. Triscone
8. C. Ederer

In Materials Chemistry

1. Ramamoorthy Ramesh
2. Darrell Schlom
3. Long-qing Chen
4. C. Eom
5. Y. Chu
6. N. Spaldin
7. K. Rabe
8. J. Triscone

Citations in the corpus

• Strain Tuning of Ferroelectric Thin Films (2007, methodology): “The full first-principles results so far obtained for PbTiO3 (132), SrTiO3 (133), BaTiO3 (78), and BiFeO3 (134) have been extended to an additional five perovskite oxides through the use of a parameterized form for the total energy (135).”
• Multiferroics: progress and prospects in thin films. (2007, background): “Indeed, first-principles density functional calculations for multiferroic BiFeO 3 showe”