The response of mechanical and electronic properties of graphane to the elastic strain

Abstract

Based on first-principles calculations, we resent a method to reveal the elastic properties of recently synthesized monolayer hydrocarbon, graphane. The in-plane stiffness and Poisson's ratio values are found to be smaller than those of graphene, and its yielding strain decreases in the presence of various vacancy defects and also at high ambient temperature. We also found that the band gap can be strongly modified by applied strain in the elastic range.Comment: accepted version at: http://link.aip.org/link/?APL/96/09191