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We have constructed microscopic, structurally-relaxed atomistic models ofSi/SiO$_2$ superlattices. The structural distortion and oxidation-statecharacteristics of the interface Si atoms are examined in detail. The roleplayed by the interface Si suboxides in raising the band gap and producingdispersionless energy bands is established. The suboxide atoms are shown togenerate an abrupt interface layer about 1.60 \AA thick. Bandstructure andoptical-absorption calculations at the Fermi Golden rule level are used todemonstrate that increasing confinement leads to (a) direct bandgaps (b) a blueshift in the spectrum, and (c) an enhancement of the absorption intensity inthe threshold-energy region. Some aspects of this behaviour appear not only inthe symmetry direction associated with the superlattice axis, but also in theorthogonal plane directions. We conclude that, in contrast to Si/Ge, Si/SiO$_2$superlattices show clear optical enhancement and a shift of the opticalspectrum into the region useful for many opto-electronic applications.Comment: 11 pages, 10 figures (submitted to Phys. Rev. B

physical review. b, condensed matter

Optical properties of structurally relaxed<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">Si</mml:mi><mml:mo>/</mml:mo><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SiO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>superlattices: The role of bonding at interfaces

Optical properties of structurally relaxedSi/SiO2superlattices: The role of bonding at interfaces