The tendency of oxygen vacancies to diffuse and segregate to the Si:Hf O2 interface is evaluated by performing first principles vacancy formation and migration energy calculations at various distances from the interface. These computations indicate that strong thermodynamic and kinetic driving forces exist for the segregation of oxygen vacancies to the interface, providing for a mechanism for the subsequent formation of interfacial phases.
|Physical Review B - Condensed Matter and Materials Physics
|Published - Aug 13 2007
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics