Corpus ID: 203610192

Oxygen vacancy induced electric polarization changes in Fe,Co-substituted SrTiO$_{3-\delta}$

@article{Cortes2019OxygenVI,
  title={Oxygen vacancy induced electric polarization changes in Fe,Co-substituted SrTiO\$\_\{3-\delta\}\$},
  author={Emilio A. Cortes and Shyue Ping Ong and Caroline A. Ross and Juan M. Florez},
  journal={arXiv: Materials Science},
  year={2019}
}
We use density functional theory (DFT) calculations to show that oxygen vacancies ($v_\mathrm{O}$) induce noncentrosymmetric polar structures in SrTi$_{0.75}$Fe$_{0.125}$Co$_{0.125}$O$_{3-\delta}$ (STFC) with $\delta = \{0.125, 0.25\}$, enhance the magnetic moment and give rise to large changes in the electric polarization $\vert\Delta P\vert$. Variations of $\delta$ or oxygen vacancy migration for a given deficiency are shown to be effective mechanisms to tune the ferroic order parameters… Expand

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