Modelling of paramagnetic trivalent silicon defect centres in amorphous silica and at Si-SiO2 interfaces
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We investigate carbon single-atom and pair defects at the SiC/SiO2 interface as candidate defects for the density of defect states in the SiC band gap. In order to accurately describe the electronic defect levels with respect to the SiC band edges, we use ...
We introduce a theoretical scheme to study defect energy levels and band alignments at semiconductor-oxide interfaces. The scheme relies on hybrid functionals to overcome the band gap underestimation typically achieved with semilocal density functionals. F ...
The present paper proposes a Monte Carlo model to simulate the evolution of the microstructure during liquid phase sintering. The model mainly assumes that the system temperature is constant and that the composition of the liquid phase is completely homoge ...
The defect levels of the nitrogen dangling bond at the Si/SiO2 interface are determined through a density-functional approach. The composition grading at the interface is modeled through crystalline and amorphous models of stoichiometric SiO2, nitrided SiO ...
We study the interfacial electronic properties of a model Si-SiO2-Si structure which is intended to simulate the substrate-oxide-polysilicon stack in metal-oxide-semiconductor devices. The structural properties of this model are shown to match closely thos ...
We define a new filtration of the Delaunay triangulation of a finite set of points in &Rdbl;d, similar to the alpha shape filtration. The new filtration is parameterized by a local scale parameter instead of the global scale parameter in alpha s ...
Conformal alpha shapes are a new filtration of the Delaunay triangulation of a finite set of points in &Rdbl;d. In contrast to (ordinary) alpha shapes the new filtration is parameterized by a local scale parameter instead of the global scale par ...
The invention relates to nanoparticles based on a metal, on a metal alloy or on a metal derivative coated with a silica layer, in which the silica is crystalline silica, in particular crystalline silica in the cristobalite form. They may be prepared from n ...
New correlations predicting the local boiling heat transfer coefficients for vertical flow over a tube bundle have been developed. These correlations were developed for three different classes of tubes: smooth, low-finned, and Turbo-BII HP. These correlati ...
Silicon dioxide (SiO2) films grown on silicon monocrystal (Si) substrates form the gate oxides in current Si-based microelectronics devices. The understanding at the atomic scale of both the silicon oxidation process and the properties of the Si(100)-SiO2 ...