Article ID Journal Published Year Pages File Type
1591951 Solid State Communications 2014 5 Pages PDF
Abstract
The present paper reports the calculated vibrational and elastic properties of some two dimensional carbon allotropes such as graphene, α-, β- and γ-graphynes using first principles density functional theory. The phonon modes of graphynes show quite distinct behavior than graphene and have real frequency throughout the Brillouin zone thus indicating dynamically stable structures. The out of plane, ZA mode is more dispersive in the case of graphynes. We have discussed the implications of phonon modes to the thermal conductance in graphynes and graphene. We have also calculated the elastic constants for graphene and graphynes. Calculated elastic constants of graphynes show more anisotropic conformer nature than graphene.
Related Topics
Physical Sciences and Engineering Materials Science Materials Science (General)
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