期刊
CHINESE PHYSICS B
卷 27, 期 7, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/1674-1056/27/7/077302
关键词
silicene; BN; electronic property; heterostructure
资金
- National Key Research and Development Program of China [2016YFA0202300]
- National Natural Science Foundation of China [61390501, 61471337]
- National Basic Research Program of China [2013CBA01600]
- CAS Pioneer Hundred Talents Program
- Beijing Nova Program, China [Z181100006218023]
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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