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Spin splitting and p-/n-type doping of two-dimensional WSe2/BiIrO3(111) heterostructures

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Abstract

The electronic structure of monolayer WSe2/BiIrO3(111) interfaces is investigated by first-principles calculations. The different polar directions of bilayer BiIrO3(111) can induce the p- or n-type doping of WSe2, indicating that the conductivity of monolayer WSe2 can be effectively modulated by switching the polarization of bilayer BiIrO3(111). Meanwhile, in B1 and B4 models, the spin splitting energies of WSe2 are 413.7 and 416.6 meV, which decrease by 52.9 and 50.0 meV compared to that of pristine monolayer WSe2 of 466.6 meV. Additionally, by applying a perpendicular electric field of 0.1 V nm−1, the spin splitting can be increased from 413.7 to 421.5 meV. However, spin splitting shows robustness against large electric fields. The results are useful in the design of novel two-dimensional transition metal dichalcogenide devices.

Graphical abstract: Spin splitting and p-/n-type doping of two-dimensional WSe2/BiIrO3(111) heterostructures

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Publication details

The article was received on 05 Dec 2017, accepted on 29 Jan 2018 and first published on 29 Jan 2018


Article type: Paper
DOI: 10.1039/C7CP08142A
Citation: Phys. Chem. Chem. Phys., 2018, Advance Article
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    Spin splitting and p-/n-type doping of two-dimensional WSe2/BiIrO3(111) heterostructures

    Y. Ji, Y. Song, J. Zou and W. Mi, Phys. Chem. Chem. Phys., 2018, Advance Article , DOI: 10.1039/C7CP08142A

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