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Engineering the strongly correlated properties of bulk Ruddlesden–Popper transition metal oxides via self-doping

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Abstract

We demonstrate via first-principles calculations a novel method of tuning the electron–electron interactions in bulk oxide materials via controlling the cationic layer arrangement. Using the Ruddlesden–Popper oxides LaSrMnO4 and LaSrTiO4 as examples, our study demonstrates that a self-doping effect can be induced by changing the stacking of the neutral and charged cationic layers. It is believed that such a phenomenon is associated with different movements of apical oxygen atoms, resulting in diverse bandgaps, magnetism and orbital degrees of freedom in the same stoichiometric strongly-correlated material. This finding may open up a new direction to engineer the transition metal oxides for practical applications requiring tunable electronic properties without external doping.

Graphical abstract: Engineering the strongly correlated properties of bulk Ruddlesden–Popper transition metal oxides via self-doping

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Publication details

The article was received on 17 Mar 2017, accepted on 03 Apr 2017 and first published on 03 Apr 2017


Article type: Paper
DOI: 10.1039/C7CP01700F
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    Engineering the strongly correlated properties of bulk Ruddlesden–Popper transition metal oxides via self-doping

    A. Pham and S. Li, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP01700F

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