| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Electronic properties of silicene in BN/silicene van der Waals heterostructures |
| Ze-Bin Wu(吴泽宾)1,2, Yu-Yang Zhang(张余洋)1,2, Geng Li(李更)1,2, Shixuan Du(杜世萱)1,2, Hong-Jun Gao(高鸿钧)1,2 |
1 Key Laboratory of Vacuum Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
2 University of Chinese Academy of Sciences, Beijing 100190, China |
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Abstract Silicene is a promising 2D Dirac material as a building block for van der Waals heterostructures (vdWHs). Here we investigate the electronic properties of hexagonal boron nitride/silicene (BN/Si) vdWHs using first-principles calculations. We calculate the energy band structures of BN/Si/BN heterostructures with different rotation angles and find that the electronic properties of silicene are retained and protected robustly by the BN layers. In BN/Si/BN/Si/BN heterostructure, we find that the band structure near the Fermi energy is sensitive to the stacking configurations of the silicene layers due to interlayer coupling. The coupling is reduced by increasing the number of BN layers between the silicene layers and becomes negligible in BN/Si/(BN)3/Si/BN. In (BN)n/Si superlattices, the band structure undergoes a conversion from Dirac lines to Dirac points by increasing the number of BN layers between the silicene layers. Calculations of silicene sandwiched by other 2D materials reveal that silicene sandwiched by low-carbon-doped boron nitride or HfO2 is semiconducting.
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Received: 13 April 2018
Revised: 23 April 2018
Accepted manuscript online:
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PACS:
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73.22.-f
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(Electronic structure of nanoscale materials and related systems)
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73.20.At
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(Surface states, band structure, electron density of states)
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Corresponding Authors:
Shixuan Du
E-mail: sxdu@iphy.ac.cn
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Cite this article:
Ze-Bin Wu(吴泽宾), Yu-Yang Zhang(张余洋), Geng Li(李更), Shixuan Du(杜世萱), Hong-Jun Gao(高鸿钧) Electronic properties of silicene in BN/silicene van der Waals heterostructures 2018 Chin. Phys. B 27 077302
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