Theory of Point Defects in SiO2-based Electronic Devices: Optical Transitions, EPR Properties, Formation Energies

摘要

This report results from a contract tasking Universita di Milano as follows: The contractor will investigate point defects in crystalline and amorphous silica. Three main topics will be studied: (1) the electronic structure of the E' centers, and various models for them; (2) electron trapping in silica, for which new, larger models which increase electron affinity of the system by allowing a demoralization of excess negative charge over many atomic centers will be investigated: (3) hydrogen diffusion in silica, specifically, mechanisms to explain the observed temperature dependence of hydrogen emission under electron injection in silica.