Photonic band-gap effects on photoluminescence of silicon nanocrystals embedded in artificial opals

Si nanocrystals were formed in synthetic opals by Si-ion implantation and their optical properties studied using microphotoluminescence and reflection techniques. The properties of areas with high crystalline quality are compared with those of disordered regions of samples. The photoluminescencespectrum from Si nanocrystals embedded in silica spheres is narrowed by the inhibition of emission at wavelengths corresponding to the opalphotonic pseudoband gap (∼690 nm). Measurements of photoluminescencespectra from individual implanted silica spheres is also demonstrated and the number of emitting Si nanocrystals in single brightly emitting spheres is estimated to be of the order of one thousand.This work was supported by GACR (202/03/0789), NATO (PST.CLG.978100), and by the Royal Swedish Academy of Sciences. One of the authors ~J.V.! appreciates financial support from the French government (program Echange)

Direct bandgap optical transitions in Si nanocrystals

The effect of quantum confinement on the direct bandgap of spherical Si nanocrystals has been modelled theoretically. We conclude that the energy of the direct bandgap at the $\Gamma$-point decreases with size reduction: quantum confinement enhances radiative recombination across the direct bandgap and introduces its "red" shift for smaller grains. We postulate to identify the frequently reported efficient blue emission (F-band) from Si nanocrystals with this zero-phonon recombination. In a dedicated experiment, we confirm the "red" shift of the F-band, supporting the proposed identification

Silicon and Germanium Nanostructures for Photovoltaic Applications: Ab-Initio Results

Actually, most of the electric energy is being produced by fossil fuels and great is the search for viable alternatives. The most appealing and promising technology is photovoltaics. It will become truly mainstream when its cost will be comparable to other energy sources. One way is to significantly enhance device efficiencies, for example by increasing the number of band gaps in multijunction solar cells or by favoring charge separation in the devices. This can be done by using cells based on nanostructured semiconductors. In this paper, we will present ab-initio results of the structural, electronic and optical properties of (1) silicon and germanium nanoparticles embedded in wide band gap materials and (2) mixed silicon-germanium nanowires. We show that theory can help in understanding the microscopic processes important for devices performances. In particular, we calculated for embedded Si and Ge nanoparticles the dependence of the absorption threshold on size and oxidation, the role of crystallinity and, in some cases, the recombination rates, and we demonstrated that in the case of mixed nanowires, those with a clear interface between Si and Ge show not only a reduced quantum confinement effect but display also a natural geometrical separation between electron and hole