1 research outputs found
Optical properties of structurally-relaxed Si/SiO superlattices: the role of bonding at interfaces
We have constructed microscopic, structurally-relaxed atomistic models of
Si/SiO superlattices. The structural distortion and oxidation-state
characteristics of the interface Si atoms are examined in detail. The role
played by the interface Si suboxides in raising the band gap and producing
dispersionless energy bands is established. The suboxide atoms are shown to
generate an abrupt interface layer about 1.60 \AA thick. Bandstructure and
optical-absorption calculations at the Fermi Golden rule level are used to
demonstrate that increasing confinement leads to (a) direct bandgaps (b) a blue
shift in the spectrum, and (c) an enhancement of the absorption intensity in
the threshold-energy region. Some aspects of this behaviour appear not only in
the symmetry direction associated with the superlattice axis, but also in the
orthogonal plane directions. We conclude that, in contrast to Si/Ge, Si/SiO
superlattices show clear optical enhancement and a shift of the optical
spectrum into the region useful for many opto-electronic applications.Comment: 11 pages, 10 figures (submitted to Phys. Rev. B