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Stability and electronic structure of two dimensional Cx(BN)y compound.
- Source :
- Applied Physics Letters; 1/10/2011, Vol. 98 Issue 2, p022101, 3p, 1 Diagram, 2 Graphs
- Publication Year :
- 2011
-
Abstract
- The thermal stability and electronic structures of two dimensional C<subscript>x</subscript>(BN)<subscript>y</subscript> 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 (E<subscript>G</subscript>) of the evenly distributed C<subscript>x</subscript>(BN)<subscript>y</subscript> compounds is dependent on the carbon concentration. By controlling the carbon concentration in the compound, the E<subscript>G</subscript> of the compound material can be adjusted for electronic applications. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00036951
- Volume :
- 98
- Issue :
- 2
- Database :
- Complementary Index
- Journal :
- Applied Physics Letters
- Publication Type :
- Academic Journal
- Accession number :
- 57378936
- Full Text :
- https://doi.org/10.1063/1.3535604