Electronic Structure and Properties of the Oxides of the Tetrahedral Semiconductors and Their Interfaces.

摘要

A simple but general model is developed in which the electronic structure and spectra of SiO2, GeO2 and the ABO4-type oxides are studied in a systematic way. Methods have also been developed in terms of which are calculated the energy levels of impurities in bulk SiO2 and at the Si-SiO2 interface, and the electronic structure of free surfaces and interfaces between crystalline materials. The main objectives of the work reported here were to obtain a theoretical description of the electronic structure and properties of the oxides of the tetrahedral semiconductors (in particular, SiO2, GeO2, and the ABO4-type oxides, where AB is a tetrahedral semiconductor) and their interfaces with other materials and vacuum.