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20092022
most citedAFLOW: An automatic framework for high-throughput materials discovery

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cond-mat.mtrl-sci2009★ 151 cited

Density functional characterization of the antiferromagnetism in oxygen-deficient anatase and rutile TiO2

Kesong Yang, Ying Dai, Baibiao Huang +1

We present theoretical evidence for local magnetic moments on Ti3+ ions in oxygen-deficient anatase and rutile TiO2 observed in a recent experiment [S. Zhou, et al., Phys. Rev. B 7…