Tuning the electronic structures of silicene and germanene by biaxial strain and electric field

Abstract: We present a first-principles study of effects of small biaxial strain ($|\varepsilon|\le 5\%$) and perpendicular electric field (E-field) on the electronic and phonon properties of low-buckled silicene and germanene. With an increase of the biaxial strain, the conduction bands at the high symmetric $\Gamma$ and $M$ points of the first Brillouin zone shift significantly towards the Fermi level in both silicene and germanene. In contrast, the E-field changes the band dispersions near the $\Gamma$ and open a small band gap at the K point in silicene. We found that the field-induced gap opening in silicene could be enhanced by a compressive strain while mitigated by a tensile strain. This result highlights the tunability of the electronic structures of silicene by combining the mechanical strain and the electric field.