期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 21, 期 17, 页码 8856-8864出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cp01196j
关键词
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资金
- National Natural Science Foundation of China [51872170, 11374190, 21333006]
- Taishan Scholar Program of Shandong Province
- Young Scholars Program of Shandong University (YSPSDU)
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 pi 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 C-3 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.
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