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. 2018 Jan 31;19(1):44–52. doi: 10.1080/14686996.2017.1410055

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© 2018 The Author(s). Published by National Institute for Materials Science in partnership with Taylor & Francis

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 5. — The spin density ( $ρ ↑$ – $ρ ↓$ ) for (a) undoped ${aTiO}_{2}$ , and (b) Fe(II)- ${aTiO}_{2}$ surface models. The isovalue used for spin density plots is 0.005 e $Å^{- 3}$ . Ti, Fe, and O atoms are represented by grey, green and red balls, respectively. The spin density isosurface is represented in yellow color.