Issue 24, 2015

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

Abstract

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

Article information

Article type
Communication
Submitted
19 Mar 2015
Accepted
19 May 2015
First published
22 May 2015

Phys. Chem. Chem. Phys., 2015,17, 15694-15700

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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