Atomistic models of the Si(100)-SiO2 interface: structural, electronic and dielectric properties
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We construct atomistic models of the Si(100)-SiO2 interface in accord with available experimental data. Combining classical and first-principles simulation methods, we generate transition structures from crystalline silicon to disordered SiO2. The generati ...
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We discuss the structural, electronic and dielectric properties of a model structure of the Si(100)-SiO2 interface that accounts for the amorphous nature of the oxide. After showing that the structural properties of this model are consistent with a variety ...
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