Beyond graphene: Stable elemental monolayers of silicene and germanene

Abstract

Two-dimensional materials are one of the most active areas of nanomaterials research. Here we report the structural stability, electronic and vibrational properties of different monolayer configurations of the group IV elemental materials silicene and germanene. The structure of the stable configuration is calculated and for planar and low (<1 Å) atomic buckling configurations, analysis of the electronic band structure reveals linear band dispersion giving rise to massless Dirac Fermions with a Fermi velocity about two-thirds that of graphene. Monolayer stability is shown to be directly attributed to the phonons present with the instability being driven by the out-of-plane ZA and ZO phonon modes. Long momentum relaxation lengths and high carrier mobilities are predicted for silicene and germanene based devices as carrier relaxation via phonon scattering is found to be inhibited as the electron-optical phonon coupling matrix elements are calculated to be small, being about a factor of 25 times smaller than in graphene. The consequences for phonon scattering, high energy electrical transport and integration of elemental monolayers into electronic devices are further discussed. © 2014 American Chemical Society.