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Issue 24, 2015
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Two-dimensional silicon monolayers generated on c-BN(111) substrate

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Silicene, a buckled two-dimensional honeycomb structure of silicon, has been experimentally synthesized on very few substrates. Furthermore, synthesizing silicene with a Dirac point is another hot research area. However, only silicene grown on Ag(111) has been reported to have a Dirac point, which has lowered the expectations of researchers. Here, three Si monolayer structures, a Si chain-type structure, a two-dimensional hexagonal close packed compound structure, and a two-dimensional hexagonal close packed structure, are generated on a c-BN(111) substrate using a particle-swarm optimization algorithm implemented in CALYPSO code. Band structure calculations show that all three structures exhibit a metallic nature. In particular, due to the absolutely flat conformation of the latter two structures, a linear dispersion exists near the Fermi energy level, indicating that charge carriers can transport like massless Dirac fermions. Our results open an alternative way of searching for other two-dimensional silicon monolayers with Dirac points.

Graphical abstract: Two-dimensional silicon monolayers generated on c-BN(111) substrate

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Publication details

The article was received on 19 Mar 2015, accepted on 19 May 2015 and first published on 22 May 2015

Article type: Communication
DOI: 10.1039/C5CP01601K
Citation: Phys. Chem. Chem. Phys., 2015,17, 15694-15700

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    Two-dimensional silicon monolayers generated on c-BN(111) substrate

    H. Wu, Y. Qian, S. Lu, E. Kan, R. Lu, K. Deng, H. Wang and Y. Ma, Phys. Chem. Chem. Phys., 2015, 17, 15694
    DOI: 10.1039/C5CP01601K

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