Towards multiscale modeling of Si nanocrystals LPCVD deposition on SiO2: From ab initio calculations to reactor scale simulations

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In Fig. 3 we compare the ab initio phonon dispersion relation of a 共6,6兲 BN nanotube with the corresponding zone- folding dispersion relation. The zone-folding method works equally

Regarding the mordenite zeolites, it is observed that mordenite with lower Si/Al ratio (more acidic zeolite) is substantially more active than the one with the higher Si/Al

mixing. Solid state physics calculations have shown that such parabolic laws are valid in many cases [6] but not for all types of binary alloys, even when limited to

Earlier ab initio finite temperature molecular dynamics calculations using the technique of thermodynamic integration to calculate free energies (Vočadlo et al.,

In the fabrication of semiconductor devices, deposited silicon dioxide films (undoped and doped) are used for a variety of purposes: insulation between conductive layers, final

A cold wall lbw temperature oxide (LTO) process, by a stagnation flow technique for the deposition of device quality Si02 on silicon wafers at temperatures of 280"- 400°C

On the contrary, in those conditions where the oxidation reaction (a) is the rate-limiting-step (e.g., etching of polished wafers in HF rich solutions), the sample or