Abstract:Light-emitting silicon nanocrystals embedded in SiO 2 have been investigated by x-ray absorption measurements in total electron and photoluminescence yields, by energy filtered transmission electron microscopy and by ab initio total energy calculations. Both experimental and theoretical results show that the interface between the silicon nanocrystals and the surrounding SiO 2 is not sharp: an intermediate region of amorphous nature and variable composition links the crystalline Si with the amorphous stoichiome… Show more
“…[11][12][13][14] Besides the QC effect for explaining the new optical properties of nanometer-scaled Si films, some studies also pointed out the important role played by the Si/ SiO 2 interface in the PL. 13,[15][16][17] Thus, the PL of Si nanocluster ͑Si-ncl͒ is governed by key parameters such as grain size and the Si/ SiO 2 phase separation. An efficient absorption of light by the solar cell can be reached through the optimization of the density of Si-ncl, the Si-ncl size for a control of the absorbed wavelength of the solar spectrum, and the Si/ SiO 2 interface quality.…”
Method for fabricating third generation photovoltaic cells based on Si quantum dots using ion implantation into SiO2 J. Appl. Phys. 109, 084337 (2011) Si-rich-SiO 2 ͑SRSO͒ / SiO 2 multilayers ͑MLs͒ have been grown by reactive magnetron sputtering. The presence of silicon nanoclusters ͑Si-ncls͒ within the SRSO sublayer and annealing temperature influence optical absorption as well as photoluminescence. The optimized annealing temperature has been found to be 1100°C, which allows the recovery of defects and thus enhances photoluminescence. Four MLs with Si-ncl size ranging from 1.5 to 8 nm have been annealed using the optimized conditions and then studied by transmission measurements. Optical absorption has been modeled so that a size effect in the linear absorption coefficient ␣ ͑in cm −1 ͒ has been evidenced and correlated with TEM observations. It is demonstrated that amorphous Si-ncl absorption is fourfold higher than that of crystalline Si-ncls.
“…[11][12][13][14] Besides the QC effect for explaining the new optical properties of nanometer-scaled Si films, some studies also pointed out the important role played by the Si/ SiO 2 interface in the PL. 13,[15][16][17] Thus, the PL of Si nanocluster ͑Si-ncl͒ is governed by key parameters such as grain size and the Si/ SiO 2 phase separation. An efficient absorption of light by the solar cell can be reached through the optimization of the density of Si-ncl, the Si-ncl size for a control of the absorbed wavelength of the solar spectrum, and the Si/ SiO 2 interface quality.…”
Method for fabricating third generation photovoltaic cells based on Si quantum dots using ion implantation into SiO2 J. Appl. Phys. 109, 084337 (2011) Si-rich-SiO 2 ͑SRSO͒ / SiO 2 multilayers ͑MLs͒ have been grown by reactive magnetron sputtering. The presence of silicon nanoclusters ͑Si-ncls͒ within the SRSO sublayer and annealing temperature influence optical absorption as well as photoluminescence. The optimized annealing temperature has been found to be 1100°C, which allows the recovery of defects and thus enhances photoluminescence. Four MLs with Si-ncl size ranging from 1.5 to 8 nm have been annealed using the optimized conditions and then studied by transmission measurements. Optical absorption has been modeled so that a size effect in the linear absorption coefficient ␣ ͑in cm −1 ͒ has been evidenced and correlated with TEM observations. It is demonstrated that amorphous Si-ncl absorption is fourfold higher than that of crystalline Si-ncls.
“…Samples A and B likely contain Si amorphous nanocluster due to the low annealing temperature used which does not allow a complete phase separation and recrystallization of Si from the matrix. 21,22 This is confirmed by their broad luminescence spectra ͑see more later͒. Pieces of these samples, named A-re and B-re, respectively, have been annealed a second time at an higher temperature of 1100°C.…”
We report a spectroscopic study about the energy transfer mechanism among silicon nanoparticles ͑Si-np͒, both amorphous and crystalline, and Er ions in a silicon dioxide matrix. From infrared spectroscopic analysis, we have determined that the physics of the transfer mechanism does not depend on the Si-np nature, finding a fast ͑Ͻ200 ns͒ energy transfer in both cases, while the amorphous nanoclusters reveal a larger transfer efficiency than the nanocrystals. Moreover, the detailed spectroscopic results in the visible range here reported are essential to understand the physics behind the sensitization effect, whose knowledge assumes a crucial role to enhance the transfer rate and possibly employing the material in optical amplifier devices. Joining the experimental data, performed with pulsed and continuous-wave excitation, we develop a model in which the internal intraband recombination within Si-np is competitive with the transfer process via an Auger electron-"recycling" effect. Posing a different light on some detrimental mechanism such as Auger processes, our findings clearly recast the role of Si-np in the sensitization scheme, where they are able to excite very efficiently ions in close proximity to their surface.
“…The rationale for the upper limit of the Q 6 range is that the value of the bond-orientational order parameter for an ideal Si crystal is Q 6 = 0.63 and, since from experiments and previous calculations it is known that Si crystalline nanoparticles assume a structure with a (distorted) diamond-like core and a disordered periphery [23,24,25,26], we expect the Q 6 of crystalline nanoparticles be lower than this limit. The samples created according to the protocol described in Sec.…”
We introduce a combined Restrained MD/Parallel Tempering approach to study the difference in free energy as a function of a set of collective variables between two states in presence of unknown slow degrees of freedom.We applied this method to study the relative stability of the amorphous vs crystalline nanoparticles of size ranging between 0.8 and 1.8 nm as a function of the temperature. We found that, at variance with bulk systems, at low T small nanoparticles are amorphous and undergo an amorphous-to-crystalline phase transition at higher T . On the contrary, large nanoparticles recover the bulk-like behavior: crystalline at low T and amorphous at high T .
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