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Issue 17, 2019
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Electronic and magnetic properties of the one-dimensional interfaces of two-dimensional lateral GeC/BP heterostructures

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Abstract

We studied the electronic and magnetic properties of one-dimensional (1D) interfaces of two dimensional (2D) GeC/BP lateral heterostructures by first-principles calculations. We showed that an inner electric field exists in the heterostructures, and the 1D interfaces exhibit metallic properties when the ribbon width is larger than a critical value. In other words, the 1DEG/1DHG (one dimensional electron gas/one dimensional hole gas) with π bonding character appear at the interfaces. We verified that the existence of the polar discontinuity at the interfaces is the pre-requisite for this insulator-to-metal transition, which can be understood by the topology classification of the formal polarization of the honeycomb structures with C3 symmetry and the corresponding charge compensation mechanism was also discussed. We predicted the emergence of magnetism at the interfaces, with the width-dependent spin polarization being attributed to the Stoner instability. Increasing DOS at the interfaces leads to a paramagnetic to ferromagnetic transition.

Graphical abstract: Electronic and magnetic properties of the one-dimensional interfaces of two-dimensional lateral GeC/BP heterostructures

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Publication details

The article was received on 01 Mar 2019, accepted on 02 Apr 2019 and first published on 02 Apr 2019


Article type: Paper
DOI: 10.1039/C9CP01196J
Phys. Chem. Chem. Phys., 2019,21, 8856-8864

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    Electronic and magnetic properties of the one-dimensional interfaces of two-dimensional lateral GeC/BP heterostructures

    H. Wang, W. Wei, F. Li, B. Huang and Y. Dai, Phys. Chem. Chem. Phys., 2019, 21, 8856
    DOI: 10.1039/C9CP01196J

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