Abstract
We studied the electronic structure and dielectric properties of a SiO2(quartz)–(1100)/Si(001) interface, using first-principles ground-state calculations in a finite electric field. We evaluated the optical and the static dielectric constants for the stable SiO2/Si(001) interface model. Both the optical and the static dielectric constants change abruptly in the vicinity of the SiO2/Si interface, while the energy gap changes gradually on the SiO2 side. These results indicate that the profile of the dielectric constant is determined by the local polarization which directly reflects the local atomic arrangement.
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