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Oxygen-defect-depend ferromagnetism and strain modulation in free-standing two-dimensional TiO2 monolayer

Abstract

Recently, the layered two-dimensional titania (2D-TiO2) with a reduced band gap has been successfully synthesized. However, as important application in spintronics, the ferromangnetism in this material has not been investigated so far. To obtain expected ferromagnetism, the formation and stability of the most prominent oxygen defects in monolayer TiO2 under different external strain are explored systematically. The calculated results disclose that the structural deformation induced by tensile strain not only leads to changes in oxygen defect formation energy but also modifies its magnetic feature. With compressed strain increasing, the Curie temperature in this system decreases due to insufficient spin polarization. Our calculations provide a strategy to utilize oxygen defect and strain engineering to realize applications of 2D TiO2 monolayer in spintronics.

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Publication details

The article was received on 16 Aug 2018, accepted on 18 Sep 2018 and first published on 01 Oct 2018


Article type: Paper
DOI: 10.1039/C8CP05223A
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Oxygen-defect-depend ferromagnetism and strain modulation in free-standing two-dimensional TiO2 monolayer

    L. Wang, Y. Shan, Z. Huang, L. Liu and G. Zhou, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP05223A

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