This work presents a theoretical study of the structural and electronic
properties of bilayered silicon films under in-plane biaxial strain/stress
using density functional theory. Atomic structures of the two-dimensional
silicon films are optimized by using both the local-density approximation and
generalized gradient approximation. In the absence of strain/stress, five
buckled hexagonal honeycomb structures of the bilayered silicon film have been
obtained as local energy minima and their structural stability has been
verified. These structures present a Dirac-cone shaped energy band diagram with
zero energy band gaps. Applying tensile biaxial strain leads to a reduction of
the buckling height. Atomically flat structures with zero bucking height have
been observed when the AA-stacking structures are under a critical biaxial
strain. Increase of the strain between 10.7% ~ 15.4% results in a band-gap
opening with a maximum energy band gap opening of ~168.0 meV obtained when
14.3% strain is applied. Energy band diagram, electron transmission efficiency,
and the charge transport property are calculated.Comment: 18 pages, 5 figures, 1 tabl
