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BN nanoflake quantum-dot arrays: structural stability, and electronic and half-metallic properties

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Abstract

New one-dimensional (1D) crystals, 1D quantum-dot arrays(1D QDAs), are proposed and constructed by an ordered arrangement of zigzag-edged triangular h-BN nanoflakes. Their geometrical stability is confirmed by the calculated binding energy, phonon dispersion and molecular dynamics simulation. These 1D QDAs demonstrate different quantum confinement effects on electronic and half-metallic properties due to different linking modes. For example, in the nonmagnetic state, different 1D QDAs are predicted to be semiconductors or metals remarkably depending on their linking manner, whereas in the ferromagnetic state, they are found to be all prominent half-metals but with greatly different gaps from ∼0.6 to 5.1 eV, reaching a difference almost as large as 10 times. In addition, the study on the electric–magnetic coupling effects suggests that the applied traversed electric field can significantly benefit the enhancement of 1D QDA half-metallicity by further enlarging the gap.

Graphical abstract: BN nanoflake quantum-dot arrays: structural stability, and electronic and half-metallic properties

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Publication details

The article was received on 13 Apr 2017, accepted on 03 Jul 2017 and first published on 03 Jul 2017


Article type: Paper
DOI: 10.1039/C7CP02391J
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    BN nanoflake quantum-dot arrays: structural stability, and electronic and half-metallic properties

    R. Hu, Z. H. Zhang and Z. Q. Fan, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP02391J

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