Directional Control of the Electronic and Transport Properties of Graphynes

作者：Padilha J E^*; Fazzio A; da Silva Antonio J R

来源：Journal of Physical Chemistry C, 2014, 118(32): 18793-18798.

DOI：10.1021/jp5062804

The Dirac energy dispersion, presented by graphene and other 2D materials, provides exquisite properties that are very useful for the design of new devices. A new class of 2D materials consisting only of carbon atoms and that presents Dirac cones in its electronic structure are the graphynes. Through electronic transport results based on first-principles calculation combined with nonequilibrium Green's functions, we show that the conductivity of the alpha, beta, and 6,6,12-graphyne is higher than that for graphene. For 6,6,12-graphyne we predict that via an anisotropic strain both the electronic energy gap and the current can be modulated, presenting a strong directional dependence of its properties.

• 出版日期2014-8-14