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Title: Stability and electronic structure of two dimensional Cx(BN) y compound
Authors: Lam, K.-T.
Lu, Y. 
Feng, Y.P. 
Liang, G. 
Issue Date: 10-Jan-2011
Citation: Lam, K.-T., Lu, Y., Feng, Y.P., Liang, G. (2011-01-10). Stability and electronic structure of two dimensional Cx(BN) y compound. Applied Physics Letters 98 (2) : -. ScholarBank@NUS Repository.
Abstract: The thermal stability and electronic structures of two dimensional C x(BN)y compounds are studied using first-principles calculations based on the density functional theory. Although, from total energy calculations, it was well-established that phase-segregated atomic arrangements had the lowest energy, we found that due to the high activation energy required for phase-segregation process, evenly distributed configurations are stable at room temperature. Furthermore, the energy bandgap (EG) of the evenly distributed Cx(BN)y compounds is dependent on the carbon concentration. By controlling the carbon concentration in the compound, the EG of the compound material can be adjusted for electronic applications. © 2011 American Institute of Physics.
Source Title: Applied Physics Letters
ISSN: 00036951
DOI: 10.1063/1.3535604
Appears in Collections:Staff Publications

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